Sample records for molecule processes semiannual

This is the second Semiannual Technical Progress Report for the program titled `Automated Solar Cell Assembly Teamed Process Research` funded under National Renewable Energy Laboratory (NREL) subcontract No. ZAG-3-11219-01. This report describes the work done on Phase II of the program in the period from December 6, 1993 to June 30, 1994. Spire`s objective in this program is to develop high throughput (5 MW/yr) automated processes for interconnecting thin (200 {mu}m) silicon solar cells. High yield will be achieved with these fragile cells through the development of low mechanical stress and low thermal stress processes. For example, a machine vision system is being developed for cell alignment without mechanically contacting the cell edges, while a new soldering process is being developed to solder metal interconnect ribbons simultaneously to a cells` front and back contacts, eliminating one of the two heating steps normally used for soldering each cell.

Progress was made on the following two projects within the semiannual period: (1) simulations of the magnetic storm of April 1988 using the Magnetospheric Specification Model; and (2) improvement of a user-oriented electric-field model.

This first issue of the APT Semiannual Report focuses on APT`s defense-related technologies. These technologies are a continuation of the research, development, and engineering work performed by LLNLs Special Isotope Separation (SIS) Program. SIS was the first large-scale DOE venture that had environmentally conscious manufacturing processes and facilities as its deliverables. The objectives were to create a facility where the only outputs were either usable products or disposable wastes, and to comply with existing and anticipated federal, state, and local regulations related to safeguards, security, health and safety. To meet these objectives, revolutionary changes were needed in plutonium processing operations, chemistry, and equipment. New processes had to be developed that enhanced worker safety, minimized operator radiation dose, minimized waste at the point of generation, and provided for built-in recycling of residues. The SIS Program developed and demonstrated the technology (both chemistry and physics) necessary to provide plutonium with individual isotopic tailoring. This process made it possible to transform fuel-grade plutonium into weapon-grade material. However, due to the changing world political climate, the country`s need for plutonium to make new weapons has decreased dramatically. As a result, the planned SIS plutonium-separation plant will not be built. After the SIS Program was canceled in 199 1, Congress directed that the plutonium processing technologies under development for the SIS Program be redirected to the weapons program. APT took over the development of the innovative SIS technologies and is applying them to the development of a new, reconfigured Nuclear Weapons Complex -- Complex 21. ``Close Out of the SIS Program`` describes the completion of the SIS research and development work, and the transfer of key technologies to support this reconfiguration effort.

The importance of annual and semi-annual variability in the long-term variations of the ionosphere F2 layer parameters (NmF2, hmF2), the hydroxyl OH bands, the oxygen green 557.7 nm and red 630.0 line intensities observed from Abastumani is noted. The amplitudes of the semi-annual variations of these upper atmosphere-ionosphere parameters with maxima at equinoctial months depend on the value of the planetary geomagnetic Ap index, also observed in the inter-annual distribution of the total ozone content (TOC) and cloud covering over this region of South Caucasus. The observed dependence of semi-annual variations of these parameters on Ap index indicated possible influence of cosmic factors on the lower and upper atmosphere-ionosphere coupling processes.

This article examines the current status of Markov processes in single molecule fluorescence. For molecular dynamics to be described by a Markov process, the Markov process must include all states involved in the dynamics and the FPT distributions out of those states must be describable by a simple exponential law. The observation of non-exponential first-passage time distributions or other evidence of non-Markovian dynamics is common in single molecule studies and offers an opportunity to expand the Markov model to include new dynamics or states that improve understanding of the system. PMID:19543444

Electron-atom (molecule) collision processes at low and intermediate energies, from near threshold to a few hundred electron volts, are discussed. Attention is given to experimental techniques and procedures, electron impact cross sections, impact excitation and electron-atom scattering in laser fields. Specific examples are presented that illustrate various experimental techniques and interpretations of observations.

These Proceedings present some of the Invited Lectures and Contributed Papers of the International Conference 'Processes in Isotopes and Molecules' (PIM), held in Cluj-Napoca, Romania, 24-26 September 2009. The PIM conference, started in 1999 as a local event, is now an international conference organized every two years by the National Institute for R&D of Isotopic and Molecular Technologies in Cluj-Napoca, the capital city of Transylvania, Romania. The meetings are attended by researchers in the field of atomic and molecular physics as well as those developing new materials and technologies. The scientific subjects are at the cross-roads of three fundamental research areas: physics, chemistry, and biology. The papers here are grouped according to the five conference topics: T1 - Molecular and biomolecular systems T2 - Modern techniques and technologies T3 - Environmental molecular processes T4 - Hydrogen and renewable sources of energy T5 - Nanostructured materials and nanocomposites We gratefully acknowledge the contribution of our colleagues from the Scientific Committee and Program Committee who contributed their time, energy and expertise to the refereeing process. Finally, we would like to thank people from IOP Publishing for their friendly advice and prompt help during the editing process, as well as for their efforts making the Journal of Physics: Conference Series available to the scientific community. Diana Bogdan and Valer Tosa National Institute for R&D Isotopic and Molecular Technologies, Cluj-Napoca

The semi-annual variation in the thermospheric density is discussed in terms of the spatial and temporal variations in the solar heat input. Two heat sources are considered: the solar heat input associated with the semi-annual migration of the sun, and the auroral heat associated with the semi-annual component in magnetic storms. It is shown that the relatively large global component in the semi-annual effect of the total mass density can be explained by the lack of advective loss which otherwise damps the latitude dependent components in the annual and semi-annual variations, and the significant latitude dependence in the semi-annual variations of composition and temperature can be tied to the diffusion process which is induced by the thermospheric circulation.

This is the third semi-annual report for the project. The overall objective of this project is to develop sensor-integrated intelligent diamond wheels for grinding of ceramics. Such wheels will be smart enough to monitor and supervise both the wheel preparation and grinding processes without the need to instrument the machine tool. Intelligent wheels will utilize re-useable cores integrated with sensors: to measure the acoustic emission (AE) and grinding force. Signals from the sensors will be transmitted from a rotating wheel to a receiver by telemetry. Wheels will be trained to recognize distinct characteristics associated with truing, dressing and grinding. The technical progress is summarized in this report.

The types of nonequilibrium emission and absorption by interstellar molecules are summarized. The observed brightness emission temperatures of compact OH and H2O sources are discussed using the concept of maser amplification. A single thermodynamic approach was used in which masers and anti-masers are considered as heat engines for the theoretical interpretation of the cosmic maser and anti-maser phenomena. The requirements for different models of pumping are formulated and a classification is suggested for the mechanisms of pumping, according to the source and discharge of energy.

This report summarizes the results of concept design studies implemented at General Atomic Company (GA) during the first half of FY-80. The studies relate to a plant design for an 842-MW(t) High-Temperature Gas-Cooled Reactor utilizing an intermediate helium heat transfer loop to provide high temperature thermal energy for the production of hydrogen or synthesis gas (H/sub 2/ + CO) by steam-reforming a light hydrocarbon. Basic carbon sources may be coal, residual oil, or oil shale. Work tasks conducted during this period included the 842-MW(t) plant concept design and cost estimate for an 850/sup 0/C reactor outlet temperature. An assessment of the main-loop cooling shutdown system is reported. Major component cost models were prepared and programmed into the Process Heat Reactor Evaluation and Design (PHRED) code.

This report describes progress in seven areas for the period from October 1, 1981 to March 31, 1982. Work on Refractories for Slagging Gasifiers has included studies of corrosion, thermal shock, and slag viscosity. The Structural Ceramics program has focused on establishing materials parameters for large-scale heat exchanger tests, selecting conditions and materials for laboratory-scale tests of structural ceramic materials to be used in heat exchangers, and developing advanced inspection techniques for ceramic heat exchanger tubes. High-Temperature Gaseous Corrosion efforts continue to examine the effects of mixed oxidants on corrosion behavior and mechanical properties. Work on Protective Coatings and Claddings has been concerned with metal and ceramic coatings, including pack aluminizing, pack chromizing, and plasma spray methods. Instrumentation Development for In-situ Erosion Monitoring has concentrated on systems to monitor erosive wear of both metal and ceramics, primarily using acoustics. Large-Scale Plant Design Reviews have focused on the Mountain Fuel Resources (MFR) and Hydrocarbon Research, Inc. process development units, with emphasis on review of the MFR plant. The work on Erosive Wear in High-Temperature Slurry Pumps has consisted of an extensive review of available operating experience.

A model has been completed of the NaXe discharges examined experimentally under this contract. This model includes the effects of electron excitation, deexcitation and ionization of excited Na atoms, as well as electron loss processes such as dissociative recombination with Na2(+). By adopting apparently reasonable rate coefficients and reaction end products we are able to satisfactorily reproduce the measured steady-state densities of excited Na atoms. However, a serious and unexplained discrepancy is found in the energy balance for these discharges. By extrapolating these results to high Na densities we find what appears to be a region of sufficient optical gain at 700 nm for laser oscillation. Such a laser would require a short excitation pulse (approx. 100 ns) and would have a low discharge impedance. A new technique has been developed for the measurement of electron excitation rate coefficients for the metastable states of the rare gases. A multipass absorption cell and a single mode dye laser allow measurement of metastable densities as low as 1,000,000 atom/cc.

This article surveys the recent application of optical Fourier processing to the long-established but still expanding field of single-molecule imaging and microscopy. A variety of single-molecule studies can benefit from the additional image information that can be obtained by modulating the Fourier, or pupil, plane of a widefield microscope. After briefly reviewing several current applications, we present a comprehensive and computationally efficient theoretical model for simulating single-molecule fluorescence as it propagates through an imaging system. Furthermore, we describe how phase/amplitude-modulating optics inserted in the imaging pathway may be modeled, especially at the Fourier plane. Finally, we discuss selected recent applications of Fourier processing methods to measure the orientation, depth, and rotational mobility of single fluorescent molecules. PMID:24745862

The polar semiannual oscillation in zonal wind can explain midwinter weakening of the polar vortex and the relatively short stratospheric and mesospheric summar easterlies. The phase of the wind oscillation is equinoctial, as is the phase of the semiannual component in magnetic storm activity. For a given altitude, the contours of amplitude of the semiannual wind oscillation have less variability in geomagnetic than in geographic coordinates. It is suggested that polar wind oscillations are caused by the semiannual maxima in magnetic storm activity which lead to electron dissociation of O2 into O, in turn increasing ozone more rapidly than the dissociation of N2 destroys ozone, and thereby inducing a semiannual variation in the thermal and wind fields. This implies that geomagnetic processes may cause or affect the development of sudden warmings. As the tropical semiannual wind oscillation is symmetric about the geomagnetic equator, the same processes may also influence the location of the tropical wind wave.

The polar semiannual oscillation in zonal wind explains midwinter weakening of the polar vortex and the relatively short stratospheric and mesospheric summer easterlies. The phase of the wind oscillation is equinoctial, as is the phase of the semiannual component in magnetic storm activity. For a given altitude, the contours of amplitude of the semiannual wind oscillation have less variability in geomagnetic than in geographic coordinates. It is suggested that the polar wind oscillations are caused by the semiannual maxima in magnetic storm activity, which lead to electron dissociation of O2 into O, in turn increasing ozone more rapidly than the dissociation of N2 destroys ozone, and inducing a semiannual variation in the thermal and wind fields. This implies that geomagnetic processes may cause or affect the development of sudden warmings. As the tropical semiannual wind oscillation is symmetric about the geomagnetic equator, the same processes may also influence the location of the tropical wind wave.

Autophagy describes catabolic pathways that deliver cytoplasmic constituents for lysosomal degradation. Since major histocompatibility complex (MHC) molecules sample protein degradation products and present them to T cells for adaptive immunity, it is maybe not too surprising that autophagy contributes to this protein antigen processing for MHC presentation. However, the recently recognized breath of pathways, by which autophagy contributes to MHC antigen processing, is exciting. Macroautophagy does not only seem to deliver intracellular but facilitates also extracellular antigen processing by lysosomal hydrolysis for MHC class II presentation. Moreover, even MHC class I molecules that usually display proteasomal products are regulated by macroautophagy, probably using a pool of these molecules outside the endoplasmic reticulum, where MHC class I molecules are loaded with peptide during canonical MHC class I antigen processing. This review aims to summarize these recent developments and point out gaps of knowledge, which should be filled by further investigation, in order to harness the different antigen-processing pathways via autophagy for vaccine improvement. PMID:27319339

With the ongoing miniaturization of on-chip traps for atoms and ions it is timely to think about coherent interfaces between AMO and solid state systems with potential applications for new hybrid implementations for quantum computers. In this talk I will discuss a potential scenario, where ensembles of polar molecules serve as long-lived quantum memories for superconducting qubits and quantum information is transmitted via a high-Q microwave cavity. Polar molecules combine the exceptional features of a large electric dipole moment and long-lived rotational states with level splittings in the GHz regime. When trapped close to the surface of a chip this combination allows strong interactions with coherent solid state devices, e.g., superconducting microwave cavities or Josephson qubits. I will first introduce the system consisting of a single polar molecule coupled to a stripline cavity which realizes a cavity QED system in the microwave regime and discuss applications for quantum information processing, state detection and new cavity-assisted cooling schemes for polar molecules. I will then switch to molecular ensemble qubits where quantum information is encoded in collective spin or rotational excitations of an ensemble of N molecules. Ensemble qubits benefit from a collectively enhanced coupling ˜√N which allows quantum state transfer between the molecules and, e.g., a charge qubit on a timescale that is compatible with typical coherence times in a solid state environment. With the goal to protect ensemble qubits from collisions, I will finally discuss a scenario, where molecules are prepared in a crystalline phase under 1D trapping conditions and dipole moments aligned by an external field.

Transition metal complexes such as ruthenium complexes, having metal-to-ligand charge transfer states, are extensively used in solar energy conversion and electron transfer in biological systems and at interfaces. The dynamics of metal-to-ligand charge transfer and subsequent intermolecular, intramolecular, and interfacial electron transfer processes can be highly complex and inhomogeneous, especially when molecules are involved in interactions and perturbations from heterogeneous local environments and gated by conformation fluctuations. We have employed the single-molecule spectroscopy, a powerful approach for inhomogeneous systems to study the electron transfer dynamics of ruthenium complexes. We have applied a range of statistical analysis methods to reveal nonclassical photon emission behavior of the single ruthenium complex, i.e., photon antibunching, and photophysical ground-state recovering dynamics on a microsecond time scale. The use of photon antibunching to measure phosphorescence lifetimes and single-molecule electron transfer dynamics at room temperature is demonstrated.

The relative cross sections of elementary processes occurring in single collisions of tryptophan molecules in the gaseous phase with He2+ ions with energy 4 keV/u are measured using time-of-flight mass spectrometry for studying the mechanism of radiation damage of amino acid molecules. The fragmentation channels for intermediate singly and doubly charged tryptophan molecular ions formed during one-electron capture, two-electron capture, and electron capture with ionization are investigated. Significant difference is observed in the mass spectra of fragmentation of intermediate doubly charged ions formed during the capture with ionization and double capture, which is associated with different energies of excitation of {C11H12N2O2}2+* ions.

For decades, scientists from every discipline have struggled to understand the mechanism of biological self-assembly, which allows proteins and nucleic acids to fold reliably into functional three-dimensional structures. Such an understanding may hold the key to eliminating diseases such as Alzheimer's and Parkinson's and to effective protein engineering. The current best framework for describing biological folding processes is that of statistical mechanical energy landscape theory, and one of the most promising experimental techniques for exploring molecular energy landscapes is single molecule force spectroscopy (SMFS), in which molecules are mechanically denatured. Theoretical advances have enabled the extraction of complete energy landscape profiles from SMFS data. Here, SMFS experiments performed using laser optical tweezers are analyzed to yield the first ever full landscape profile for an RNA pseudoknot. Further, a promising novel landscape reconstruction technique is validated for the first time using experimental data from a DNA hairpin.

We extend the concept that life is an informational phenomenon, at every level of organisation, from molecules to the global ecological system. According to this thesis: (a) living is information processing, in which memory is maintained by both molecular states and ecological states as well as the more obvious nucleic acid coding; (b) this information processing has one overall function-to perpetuate itself; and (c) the processing method is filtration (cognition) of, and synthesis of, information at lower levels to appear at higher levels in complex systems (emergence). We show how information patterns, are united by the creation of mutual context, generating persistent consequences, to result in 'functional information'. This constructive process forms arbitrarily large complexes of information, the combined effects of which include the functions of life. Molecules and simple organisms have already been measured in terms of functional information content; we show how quantification may be extended to each level of organisation up to the ecological. In terms of a computer analogy, life is both the data and the program and its biochemical structure is the way the information is embodied. This idea supports the seamless integration of life at all scales with the physical universe. The innovation reported here is essentially to integrate these ideas, basing information on the 'general definition' of information, rather than simply the statistics of information, thereby explaining how functional information operates throughout life. PMID:23456459

Cross sections and rate coefficients for capture of low-energy electrons with polar and polarizable target molecules are calculated in the framework of Fabrikant and Hotop's extended version of the Vogt-Wannier model and an extension of this approach is given in the present article. Analytical approximations are derived in order to facilitate the application to experiments. A comparison with a selection of experimental electron attachment rate coefficients provides insight into the competition between anion formation through electron capture and scattering processes which do not follow this pathway. PMID:18292861

Processive cytoskeletal motors from the myosin, kinesin, and dynein families walk on actin filaments and microtubules to drive cellular transport and organization in eukaryotic cells. These remarkable molecular machines are able to take hundreds of successive steps at speeds of up to several microns per second, allowing them to effectively move vesicles and organelles throughout the cytoplasm. Here, we focus on single-molecule fluorescence techniques and discuss their wide-ranging applications to the field of cytoskeletal motor research. We cover both traditional fluorescence and sub-diffraction imaging of motors, providing examples of how fluorescence data can be used to measure biophysical parameters of motors such as coordination, stepping mechanism, gating, and processivity. We also outline some remaining challenges in the field and suggest future directions. PMID:24882363

Electron correlation is an essential driver of a variety of relaxation processes in excited atomic and molecular systems. These are phenomena which often lead to autoionization typically involving two-electron transitions, such as the well-known Auger effect. However, electron correlation can give rise also to higher-order processes characterized by multi-electron transitions. Basic examples include simultaneous two-electron emission upon recombination of an inner-shell vacancy (double Auger decay) or collective decay of two holes with emission of a single electron. First reports of this class of processes date back to the 1960s, but their investigation intensified only recently with the advent of free-electron lasers. High fluxes of high-energy photons induce multiple excitation or ionization of a system on the femtosecond timescale and under such conditions the importance of multi-electron processes increases significantly. We present an overview of experimental and theoretical works on selected multi-electron relaxation phenomena in systems of different complexity, going from double Auger decay in atoms and small molecules to collective interatomic autoionization processes in nanoscale samples.

Using solution based single molecule spectroscopy, we study the motion of the polIII {beta}-subunit DNA sliding clamp ('{beta}-clamp') on DNA. Present in all cellular (and some viral) forms of life, DNA sliding clamps attach to polymerases and allow rapid, processive replication of DNA. In the absence of other proteins, the DNA sliding clamps are thought to 'freely slide' along the DNA; however, the abundance of positively charged residues along the inner surface may create favorable electrostatic contact with the highly negatively charged DNA. We have performed single-molecule measurements on a fluorescently labeled {beta}-clamp loaded onto freely diffusing plasmids annealed with fluorescently labeled primers of up to 90 bases. We find that the diffusion constant for 1D diffusion of the {beta}-clamp on DNA satisfies D {le} 10{sup -14} cm{sup 2}/s, much slower than the frictionless limit of D = 10{sup -10} cm{sup 2}/s. We find that the {beta} clamp remains at the 3-foot end in the presence of E. coli single-stranded binding protein (SSB), which would allow for a sliding clamp to wait for binding of the DNA polymerase. Replacement of SSB with Human RP-A eliminates this interaction; free movement of sliding clamp and poor binding of clamp loader to the junction allows sliding clamp to accumulate on DNA. This result implies that the clamp not only acts as a tether, but also a placeholder.

Energy remains a critical issue for the survival and prosperity of humancivilization. Many experts believe that the eventual solution for sustainable energy is the use of direct solar energy as the main energy source. Among the options for renewable energy, photovoltaic technologies that harness solar energy offer a way to harness an unlimited resource and minimum environment impact in contrast with other alternatives such as water, nuclear, and wind energy. Currently, almost all commercial photovoltaic technologies use Si-based technology, which has a number of disadvantages including high cost, lack of flexibility, and the serious environmental impact of the Si industry. Other technologies, such as organic photovoltaic (OPV) cells, can overcome some of these issues. Today, polymer-based OPV (P-OPV) devices have achieved power conversion efficiencies (PCEs) that exceed 9%. Compared with P-OPV, small molecules based OPV (SM-OPV) offers further advantages, including a defined structure for more reproducible performance, higher mobility and open circuit voltage, and easier synthetic control that leads to more diversified structures. Therefore, while largely undeveloped, SM-OPV is an important emerging technology with performance comparable to P-OPV. In this Account, we summarize our recent results on solution-processed SM-OPV. We believe that solution processing is essential for taking full advantage of OPV technologies. Our work started with the synthesis of oligothiophene derivatives with an acceptor-donor-acceptor (A-D-A) structure. Both the backbone conjugation length and electron withdrawing terminal groups play an important role in the light absorption, energy levels and performance of the devices. Among those molecules, devices using a 7-thiophene-unit backbone and a 3-ethylrhodanine (RD) terminal unit produced a 6.1% PCE. With the optimized conjugation length and terminal unit, we borrowed from the results with P-OPV devices to optimize the backbone. Thus we

This report describes work done under Phase 3A of the PVMaT project to address problems that are generic to the photovoltaics (PV) industry. Crystalline silicon solar cells were used in the majority of all terrestrial power modules shipped in 1992. Spire`s analysis in Phase 1 of the PVMaT project indicated that the use of thin ({le}200-{mu}m) silicon cells can substantially reduce module manufacturing costs, provided that processing yields remain as high as they are now for processing standard thickness cells. Because present solar cell tabbing and interconnecting processes have unacceptably high yield losses with such thin cells, the objective of this Phase 3A subcontract is to use Spire`s light soldering technology and experience in designing and fabricating solar cell tabbing and interconnecting equipment to develop high yield throughput, fully automated processes for tabbing and interconnecting thin cells.

Progress in the design of an 1170-MW(t) High-Temperature Gas-Cooled Reactor (HTGR) Nuclear Steam Supply (NSS) is described. This NSS can integrate favorably into present petrochemical and primary metal process industries, heavy oil recovery operations, and future shale oil recovery and synfuel processes. The economics appear especially attractive in comparison with alternative coal-fired steam generation. Cost estimates for central station power-generating 2240- and 3360-MW(t) HTGR-Steam Cycle (HTGR-SC) plants are updated. The 2240-MW(t) HTGR-SC is treated to a probabilistic risk evaluation. Compared with the earlier 3000-MW(t) design, the results predict a slightly increased risk of core heatup, owing to the result of eliminating the capability of the boiler feed pump to operate at atmospheric backpressure. The differences in risk, however, are within the calculational uncertainties. Preliminary results of the ranking of safety enhancement features for the 1170-MW(t) HTGR indicate that the following modifications offer the most promise: (1) capability for main loop rundown, (2) natural circulation core auxiliary cooling, and (3) PCRV blowdown capability through the helium purification system to minimize activity release during some core heatups.

The ability to image at the single molecule scale has revolutionized research in molecular biology. This feature issue presents a collection of articles that provides new insights into the fundamental limits of single molecule imaging and reports novel techniques for image formation and analysis. PMID:27409708

An algorithm is developed for simulation of the motion and reactions of single molecules at a microscopic level. The molecules diffuse in a solvent and react with each other or a polymer and molecules can dissociate. Such simulations are of interest e.g. in molecular biology. The algorithm is similar to the Green's function reaction dynamics (GFRD) algorithm by van Zon and ten Wolde where longer time steps can be taken by computing the probability density functions (PDFs) and then sample from the distribution functions. Our computation of the PDFs is much less complicated than GFRD and more flexible. The solution of the partial differential equation for the PDF is split into two steps to simplify the calculations. The sampling is without splitting error in two of the coordinate directions for a pair of molecules and a molecule-polymer interaction and is approximate in the third direction. The PDF is obtained either from an analytical solution or a numerical discretization. The errors due to the operator splitting, the partitioning of the system, and the numerical approximations are analyzed. The method is applied to three different systems involving up to four reactions. Comparisons with other mesoscopic and macroscopic models show excellent agreement.

Autophagy is a rapidly expanding field in the sense that our knowledge about the molecular mechanism and its connections to a wide range of physiological processes has increased substantially in the past decade. Similarly, the vocabulary associated with autophagy has grown concomitantly. This fact makes it difficult for readers, even those who work in the field, to keep up with the ever-expanding terminology associated with the various autophagy-related processes. Accordingly, we have developed a comprehensive glossary of autophagy-related terms that is meant to provide a quick reference for researchers who need a brief reminder of the regulatory effects of transcription factors or chemical agents that induce or inhibit autophagy, the function of the autophagy-related proteins, or the role of accessory machinery or structures that are associated with autophagy. PMID:20484971

Plasmon-enhanced optical processes in molecules have been extensively but individually explored for Raman scattering, fluorescence, and infrared light absorption. In contrast to recent progress in the interfacial control of hot electrons in plasmon-semiconductor hybrid systems, plasmon-molecule hybrid systems have remained to be a conventional scheme, mainly assuming electric-field enhancement. This was because it was difficult to control the plasmon-molecule interface in a well-controlled manner. We here experimentally substantiate an obvious change in artificially enhanced optical processes of fluorescence/Raman scattering in fluorescent molecules on high-emittance plasmo-photonic metasurfaces with/without a self-assembled monolayer of sub-nm thickness. These results indicate that the enhanced optical processes were successfully selected under artificial configurations without any additional chemical treatment that modifies the molecules themselves. Although Raman-scattering efficiency is generally weak in high-fluorescence-yield molecules, it was found that Raman scattering becomes prominent around the molecular fingerprint range on the metasurfaces, being enhanced by more than 2000 fold at the maximum for reference signals. In addition, the highly and uniformly enhancing metasurfaces are able to serve as two-way functional, reproducible, and wavelength-tunable platforms to detect molecules at very low densities, being distinct from other platforms reported so far. The change in the enhanced signals suggests that energy diagrams in fluorescent molecules are changed in the configuration that includes the metal-molecule interface, meaning that plasmon-molecule hybrid systems are rich in the phenomena beyond the conventional scheme.Plasmon-enhanced optical processes in molecules have been extensively but individually explored for Raman scattering, fluorescence, and infrared light absorption. In contrast to recent progress in the interfacial control of hot electrons

Plasmon-enhanced optical processes in molecules have been extensively but individually explored for Raman scattering, fluorescence, and infrared light absorption. In contrast to recent progress in the interfacial control of hot electrons in plasmon-semiconductor hybrid systems, plasmon-molecule hybrid systems have remained to be a conventional scheme, mainly assuming electric-field enhancement. This was because it was difficult to control the plasmon-molecule interface in a well-controlled manner. We here experimentally substantiate an obvious change in artificially enhanced optical processes of fluorescence/Raman scattering in fluorescent molecules on high-emittance plasmo-photonic metasurfaces with/without a self-assembled monolayer of sub-nm thickness. These results indicate that the enhanced optical processes were successfully selected under artificial configurations without any additional chemical treatment that modifies the molecules themselves. Although Raman-scattering efficiency is generally weak in high-fluorescence-yield molecules, it was found that Raman scattering becomes prominent around the molecular fingerprint range on the metasurfaces, being enhanced by more than 2000 fold at the maximum for reference signals. In addition, the highly and uniformly enhancing metasurfaces are able to serve as two-way functional, reproducible, and wavelength-tunable platforms to detect molecules at very low densities, being distinct from other platforms reported so far. The change in the enhanced signals suggests that energy diagrams in fluorescent molecules are changed in the configuration that includes the metal-molecule interface, meaning that plasmon-molecule hybrid systems are rich in the phenomena beyond the conventional scheme. PMID:27227964

We show that a Gaussian process model can be combined with a small number (of order 100) of scattering calculations to provide a multidimensional dependence of scattering observables on the experimentally controllable parameters (such as the collision energy or temperature) as well as the potential energy surface (PES) parameters. For the case of Ar -C6H6 collisions, we show that 200 classical trajectory calculations are sufficient to provide a ten-dimensional hypersurface, giving the dependence of the collision lifetimes on the collision energy, internal temperature, and eight PES parameters. This can be used for solving the inverse scattering problem, for the efficient calculation of thermally averaged observables, for reducing the error of the molecular dynamics calculations by averaging over the PES variations, and for the analysis of the sensitivity of the observables to individual parameters determining the PES. Trained by a combination of classical and quantum calculations, the model provides an accurate description of the quantum scattering cross sections, even near scattering resonances.

Food industries produce huge amounts of processing waste that are often disposed of incurring expenses and impacting upon the environment. For these and other reasons, food processing waste streams, in particular marine processing waste streams, are gaining popularity amongst pharmaceutical, cosmetic and nutraceutical industries as sources of bioactive molecules. In the last 30 years, there has been a gradual increase in processed marine products with a concomitant increase in waste streams that include viscera, heads, skins, fins, bones, trimmings and shellfish waste. In 2010, these waste streams equated to approximately 24 million tonnes of mostly unused resources. Marine processing waste streams not only represent an abundant resource, they are also enriched with structurally diverse molecules that possess a broad panel of bioactivities including anti-oxidant, anti-coagulant, anti-thrombotic, anti-cancer and immune-stimulatory activities. Retrieval and characterisation of bioactive molecules from marine processing waste also contributes valuable information to the vast field of marine natural product discovery. This review summarises the current use of bioactive molecules from marine processing waste in different products and industries. Moreover, this review summarises new research into processing waste streams and the potential for adoption by industries in the creation of new products containing marine processing waste bioactives. PMID:26332893

Solution processed bulk heterojunction (BHJ) organic solar cells (OSCs) have gained wide interest in past few years and are established as one of the leading next generation photovoltaic technologies for low cost power production. Power conversion efficiencies up to 6% and 6.5% have been reported in the literature for single layer and tandem solar cells, respectively using conjugated polymers. A recent record efficiency about 8.13% with active area of 1.13 cm{sup 2} has been reported. However Solution processable small molecules have been widely applied for photovoltaic (PV) devices in recent years because they show strong absorption properties, and they can be easily purified and deposited onto flexible substrates at low cost. Introducing different donor and acceptor groups to construct donor--acceptor (D--A) structure small molecules has proved to be an efficient way to improve the properties of organic solar cells (OSCs). The power conversion efficiency about 4.4 % has been reported for OSCs based on the small molecules. This review deals with the recent progress of solution processable D--A structure small molecules and discusses the key factors affecting the properties of OSCs based on D--A structure small molecules: sunlight absorption, charge transport and the energy level of the molecules.

Heteronuclear alkali-metal dimers represent the class of molecules of choice for creating samples of ultracold molecules exhibiting an intrinsic large permanent electric dipole moment. Among them, the KCs molecule, with a permanent dipole moment of 1.92 Debye still remains to be observed in ultracold conditions. Based on spectroscopic studies available in the literature completed by accurate quantum chemistry calculations, we propose several optical coherent schemes to create ultracold bosonic and fermionic KCs molecules in their absolute rovibrational ground level, starting from a weakly bound level of their electronic ground state manifold. The processes rely on the existence of convenient electronically excited states allowing an efficient stimulated Raman adiabatic transfer of the level population.

The positron-electron annihilation process in (2,2)-difluoropropane molecule and the corresponding gamma-ray spectra are studied by quantum chemistry method. The positrophilic electrons in (2,2)-difluoropropane molecule are found for the first time. The theoretical predictions show that the outermost 2s electrons of fluoride atoms play an important role in positron-electron annihilation process of (2,2)-difiuoropropane. In the present scheme, the correlation coefficient between the theoretical gamma-ray spectra and the experiments can be 99%. The present study gives an alternative annihilation model for positron-electron pair in larger molecules. Supported by the National Natural Science Foundation of China under Grant No. 11347011 and the Natural Science Foundation Project of Shandong Province under Grant No. ZR2011AM010 and 2014 Technology Innovation Fund of Ludong University under Grant Nos. 1d151007 and ld15l016

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... 45 Public Welfare 4 2013-10-01 2013-10-01 false Semi-annual compilation. 1230.600 Section 1230.600... SERVICE NEW RESTRICTIONS ON LOBBYING Agency Reports § 1230.600 Semi-annual compilation. (a) The head of... available for public inspection. (e) The first semi-annual compilation shall be submitted on May 31,...

... 24 Housing and Urban Development 1 2012-04-01 2012-04-01 false Semi-annual compilation. 87.600... Development NEW RESTRICTIONS ON LOBBYING Agency Reports § 87.600 Semi-annual compilation. (a) The head of each... available for public inspection. (e) The first semi-annual compilation shall be submitted on May 31,...

... 45 Public Welfare 3 2011-10-01 2011-10-01 false Semi-annual compilation. 1158.600 Section 1158.600... HUMANITIES NATIONAL ENDOWMENT FOR THE ARTS NEW RESTRICTIONS ON LOBBYING Agency Reports § 1158.600 Semi-annual... available for public inspection. (e) The first semi-annual compilation shall be submitted on May 31,...

... 24 Housing and Urban Development 1 2010-04-01 2010-04-01 false Semi-annual compilation. 87.600... Development NEW RESTRICTIONS ON LOBBYING Agency Reports § 87.600 Semi-annual compilation. (a) The head of each... available for public inspection. (e) The first semi-annual compilation shall be submitted on May 31,...

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... 45 Public Welfare 3 2013-10-01 2013-10-01 false Semi-annual compilation. 1158.600 Section 1158.600... HUMANITIES NATIONAL ENDOWMENT FOR THE ARTS NEW RESTRICTIONS ON LOBBYING Agency Reports § 1158.600 Semi-annual... available for public inspection. (e) The first semi-annual compilation shall be submitted on May 31,...

... 34 Education 1 2011-07-01 2011-07-01 false Semi-annual compilation. 82.600 Section 82.600....600 Semi-annual compilation. (a) The head of each agency shall collect and compile the disclosure... information shall not be available for public inspection. (e) The first semi-annual compilation shall...

... 40 Protection of Environment 1 2012-07-01 2012-07-01 false Semi-annual compilation. 34.600 Section... NEW RESTRICTIONS ON LOBBYING Agency Reports § 34.600 Semi-annual compilation. (a) The head of each... available for public inspection. (e) The first semi-annual compilation shall be submitted on May 31,...

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... 45 Public Welfare 3 2012-10-01 2012-10-01 false Semi-annual compilation. 1158.600 Section 1158.600... HUMANITIES NATIONAL ENDOWMENT FOR THE ARTS NEW RESTRICTIONS ON LOBBYING Agency Reports § 1158.600 Semi-annual... available for public inspection. (e) The first semi-annual compilation shall be submitted on May 31,...

... 40 Protection of Environment 1 2013-07-01 2013-07-01 false Semi-annual compilation. 34.600 Section... NEW RESTRICTIONS ON LOBBYING Agency Reports § 34.600 Semi-annual compilation. (a) The head of each... available for public inspection. (e) The first semi-annual compilation shall be submitted on May 31,...

... 24 Housing and Urban Development 1 2013-04-01 2013-04-01 false Semi-annual compilation. 87.600... Development NEW RESTRICTIONS ON LOBBYING Agency Reports § 87.600 Semi-annual compilation. (a) The head of each... available for public inspection. (e) The first semi-annual compilation shall be submitted on May 31,...

... 40 Protection of Environment 1 2010-07-01 2010-07-01 false Semi-annual compilation. 34.600 Section... NEW RESTRICTIONS ON LOBBYING Agency Reports § 34.600 Semi-annual compilation. (a) The head of each... available for public inspection. (e) The first semi-annual compilation shall be submitted on May 31,...

... 40 Protection of Environment 1 2014-07-01 2014-07-01 false Semi-annual compilation. 34.600 Section... NEW RESTRICTIONS ON LOBBYING Agency Reports § 34.600 Semi-annual compilation. (a) The head of each... available for public inspection. (e) The first semi-annual compilation shall be submitted on May 31,...

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This Special Issue contains selected papers of contributions presented in the International Workshop on Photon and fast Ion induced Processes in Atoms, MOlecules and Nanostructures (PIPAMON), held between March 24 and 26, 2015 in Debrecen, Hungary. The venue, the Aquaticum Thermal and Wellness Hotel provided a pleasant "all-under-one-roof" environment for the event.

Two types of processes are involved in plasma processing of semi-conductors. They are: plasma etching or cleaning and plasma deposition of the semi-conducting materials. For plasma etching of semi-conductors mostly halogen containing gases are used as additives to gases such as O2 and N2. For plasma deposition gases such as C2H2, SiH4, Si2H6 have been tested in the past. For an optimal performance of a reactor it is important to model the plasma. In this modeling effort electron impact excitation and ionization cross sections play a central role. For ionization balance calculations values of ionization cross sections are needed. Ion molecule reactions determine the ultimate composition of the plasma. Recently it has been discovered that the by products of many of these plasmas are per fluro hydrocarbons (PFCs) which are highly infrared absorbing species and have long life times in the atmosphere. They cause global warming. A lot of research is being pursued at the present time to find alternative molecules which do not produce global warming gases as the and product of the plasma processing reactor. There is also interest in the ionization and dissociative ionization properties of these molecules from the point view of the plasma abatement of the pollutant gases at the exhaust of the semi-conductor processing reactors. At the conference ionization and dissociative ionization properties of some of these molecules will be presented.

The students in molecular spectroscopy courses are often required to determine the permitted normal vibrations for linear molecules that belong to particular groups. The reducible group representations generated by the use of Cartesian coordinates can be reduced by the use of a simple algebraic process applied to the group representations. The…

A two-dimensional conjugated small molecule (SMPV1) was designed and synthesized for high performance solution-processed organic solar cells. This study explores the photovoltaic properties of this molecule as a donor, with a fullerene derivative as an acceptor, using solution processing in single junction and double junction tandem solar cells. The single junction solar cells based on SMPV1 exhibited a certified power conversion efficiency of 8.02% under AM 1.5 G irradiation (100 mW cm(-2)). A homo-tandem solar cell based on SMPV1 was constructed with a novel interlayer (or tunnel junction) consisting of bilayer conjugated polyelectrolyte, demonstrating an unprecedented PCE of 10.1%. These results strongly suggest solution-processed small molecular materials are excellent candidates for organic solar cells. PMID:24285006

Activation process for unimolecular reaction has been considered by means of radiation theory. The formulae of information entropy of activation have been derived for the Boltzmann-Arrhenius model and the activation process model (APM). The physical meaning of this entropy has been determined. It is a measure of conversion of thermal radiation energy to mechanical energy that moves atoms in a molecule during elementary activation act. It is also a measure of uncertainty of this energy conversion. The uncertainty is due to unevenness of distribution function representing the activation process. It has been shown that Arrhenius dependence is caused by the entropy change. Efficiency comparison of the two models under consideration for low-temperature fluctuations of a myoglobin molecule structure shows that the APM should be favored over the Boltzmann-Arrhenius one.

This semiannual report is a compilation of seventeen reports on ongoing coal research at the University of North Dakota. The following research areas are covered: control technology and coal preparation; advanced research and technology development; combustion; liquefaction and gasification. Individual papers have been processed separately for inclusion in the Energy Science and Technology Database.

A three-dimensional model for the annual and semiannual variations of the thermosphere is presented in which energy and diffusive mass transport associated with the global circulation are considered in a self-consistent form. It is shown that these processes play a major role in the thermosphere dynamics and account for a number of temperature and compositional phenomena.

The objective of this proposed program is to evaluate the potential of rotating gas-liquid contactors for natural gas processing by expanding the currently available database. This expansion will focus on application of this technology to environments representative of those typically encountered in natural gas processing plants. Operational and reliability concerns will be addressed while generating pertinent engineering data relating to the mass-transfer process. This report presents results on fluid dynamics and mass transfer coefficient studies.

The performance of organic field effect transistors using the small molecule, tri-isopropyl- silane-di-benzo chrysene (TIPS-DBC) is reported. The field effect mobility μFE is found to depend on the deposition conditions, which affect the morphology of the film. A mobility in the range of 1.5 × 10-6 to 2.4 × 10-4 cm2 V-1 s-1 is obtained from the evaporated films depending on the substrate treatment and deposition temperature, while films deposited by solution-processing techniques yield mobilities in the range of 0.7 × 10-3 to 1.5 × 10-3 cm2 V-1 s-1. The enhanced performance in polycrystalline solution-processed coatings and its relationship to crystallite size is an important parameter in the design of high-performance devices based on small molecules.

Although Kramers' theory for diffusive barrier crossing on a 1D free energy profile plays a central role in landscape theory for complex biomolecular processes, it has not yet been rigorously tested by experiment. Here we test this 1D diffusion scenario with single molecule fluorescence measurements of DNA hairpin folding. We find an upper bound of 2.5 μ s for the average transition path time, consistent with the predictions by theory with parameters determined from optical tweezer measurements.

The study of the formation and destruction processes of cosmic dust is essential to understand and to quantify the budget of extraterrestrial organic molecules. interstellar dust presents a continuous size distribution from large molecules, radicals and ions to nanometer-sized particles to micron-sized grains. The lower end of the dust size distribution is thought to be responsible for the ubiquitous spectral features that are seen in emission in the IR (UIBs) and in absorption in the visible (DIBs). The higher end of the dust-size distribution is thought to be responsible for the continuum emission plateau that is seen in the IR and for the strong absorption seen in the interstellar UV extinction curve. All these spectral signatures are characteristic of cosmic organic materials that are ubiquitous and present in various forms from gas-phase molecules to solid-state grains. Although dust with all its components plays an important role in the evolution of interstellar chemistry and in the formation of organic molecules, little is known on the formation and destruction processes of dust. Recent space observations in the UV (HST) and in the IR (ISO) help place size constraints on the molecular component of carbonaceous IS dust and indicate that small (ie., subnanometer) PAHs cannot contribute significantly to the IS features in the UV and in the IR. Studies of large molecular and nano-sized IS dust analogs formed from PAH precursors have been performed in our laboratory under conditions that simulate diffuse ISM environments (the particles are cold -100 K vibrational energy, isolated in the gas phase and exposed to a high-energy discharge environment in a cold plasma). The species (molecules, molecular fragments, ions, nanoparticles, etc) formed in the pulsed discharge nozzle (PDN) plasma source are detected with a high-sensitivity cavity ring-down spectrometer (CRDS). We will present new experimental results that indicate that nanoparticles are generated in the

We consider a problem of extrapolating the collision properties of a large polyatomic molecule A–H to make predictions of the dynamical properties for another molecule related to A–H by the substitution of the H atom with a small molecular group X, without explicitly computing the potential energy surface for A–X. We assume that the effect of the −H →−X substitution is embodied in a multidimensional function with unknown parameters characterizing the change of the potential energy surface. We propose to apply the Gaussian Process model to determine the dependence of the dynamical observables on the unknown parameters. This can be used to produce an interval of the observable values which corresponds to physical variations of the potential parameters. We show that the Gaussian Process model combined with classical trajectory calculations can be used to obtain the dependence of the cross sections for collisions of C{sub 6}H{sub 5}CN with He on the unknown parameters describing the interaction of the He atom with the CN fragment of the molecule. The unknown parameters are then varied within physically reasonable ranges to produce a prediction uncertainty of the cross sections. The results are normalized to the cross sections for He — C{sub 6}H{sub 6} collisions obtained from quantum scattering calculations in order to provide a prediction interval of the thermally averaged cross sections for collisions of C{sub 6}H{sub 5}CN with He.

Solution-processed small-molecule organic solar cells are a promising renewable energy source because of their low production cost, mechanical flexibility, and light weight relative to their pure inorganic counterparts. In this work, we developed a coarse-grained (CG) Gay-Berne ellipsoid molecular simulation model based on atomistic trajectories from all-atom molecular dynamics simulations of smaller system sizes to systematically study the nanomorphology of the SMDPPEH/PCBM/solvent ternary blend during solution processing, including the blade-coating process by applying external shear to the solution. With the significantly reduced overall system degrees of freedom and computational acceleration from GPU, we were able to go well beyond the limitation of conventional all-atom molecular simulations with a system size on the order of hundreds of nanometers with mesoscale molecular detail. Our simulations indicate that, similar to polymer solar cells, the optimal blending ratio in small-molecule organic solar cells must provide the highest specific interfacial area for efficient exciton dissociation, while retaining balanced hole/electron transport pathway percolation. We also reveal that blade-coating processes have a significant impact on nanomorphology. For given donor/acceptor blending ratios, applying an external shear force can effectively promote donor/acceptor phase segregation and stacking in the SMDPPEH domains. The present study demonstrated the capability of an ellipsoid-based coarse-grained model for studying the nanomorphology evolution of small-molecule organic solar cells during solution processing/blade-coating and provided links between fabrication protocols and device nanomorphologies. PMID:27435212

First principles calculations based on density functional theory and many body perturbation theory have been employed to study the optical absorption properties of a newly synthesized oligo-thiophene molecule, with a quaterthiophene central unit, that has been designed for solution-processed bulk-heterojunction solar cells. To this aim we have employed the GW approach to obtain quasiparticle energies as a pre-requisite to solve the Bethe-Salpeter equation for the excitonic Hamiltonian. We show that the experimental absorption spectrum can be explained only by taking into account the inter-molecular transitions among the π-stacked poly-conjugated molecules that are typically obtained in solid-state organic samples.

The overall objective of this project is to develop sensor-integrated `intelligent` diamond wheels for grinding ceramics. Such wheels will be `smart` enough to monitor and supervise both the wheel preparation and grinding processes without the need to instrument the machine tool. Intelligent wheels will utilize re-useable cores integrated with two types of sensors: acoustic emission (AE) and dynamic force transducers. Signals from the sensors will be transmitted from a rotating wheel to a receiver by telemetry. Intelligent wheels will be `trained` to recognize distinct characteristics associated with truing, dressing and grinding.

We have studied exchange processes in contact complexes of triplet eosin molecules with oxygen molecules in the triplet (3Σ{/g -}) and singlet (1Δ g ) states in thin polyvinylbutyral films in the presence of gold nanoparticles. Upon resonant excitation of surface plasmons in gold nanoparticles into the absorption band of eosin molecules-singlet oxygen sensitizers-we have obtained an increase in the intensity of the delayed fluorescence and an increase in the lifetime of the dye with simultaneous quenching of the luminescence of singlet oxygen. The kinetics of the delayed fluorescence of the dye as a result of singlet-triplet annihilation of triplet eosin molecules with singlet oxygen molecules has been investigated. To compare theoretical and experimental data, we have numerically simulated energy transfer processes. Rate constants of energy transfer and of singlet-triplet annihilation, as well as quenching constants of triplet states of the dye by molecular oxygen, have been calculated. Luminescence quantum yield 1Δ g of polyvinylbutyral has been estimated. We have analyzed quantum-chemically electronic mechanisms of singlet-triplet annihilation of oxygen and eosin.

... the Table in 12 CFR 8.2(a); however, only the total domestic assets of the Federal branch or Federal... 12 Banks and Banking 1 2011-01-01 2011-01-01 false Semiannual assessment. 8.2 Section 8.2 Banks and Banking COMPTROLLER OF THE CURRENCY, DEPARTMENT OF THE TREASURY ASSESSMENT OF FEES §...

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...) 2010, less the amounts appropriated from the Nuclear Waste Fund, amounts appropriated for Waste... agenda on April 26, 2010 (75 FR 21960). For this edition of the NRC's regulatory agenda, the most... publication of the last NRC semiannual agenda on April 26, 2010 (75 FR 21960). Within each group, the...

... amounts appropriated from the Nuclear Waste Fund, amounts appropriated for Waste Incidental to... December 7, 2009 (74 FR 64572). ADDRESSES: Comments on any rule in the agenda may be sent to the Secretary... occurred on rules since publication of the last NRC semiannual agenda on December 7, 2009 (74 FR...

... computed at the same rate as provided in the Table in 12 CFR 8.2(a); however, only the total domestic... 12 Banks and Banking 1 2014-01-01 2014-01-01 false Semiannual assessment. 8.2 Section 8.2 Banks and Banking COMPTROLLER OF THE CURRENCY, DEPARTMENT OF THE TREASURY ASSESSMENT OF FEES §...

...This Regulatory Agenda is a semiannual summary of all current and projected rulemakings, existing regulations, and completed actions of the Small Business Administration (SBA). For this fall edition of the SBA's Regulatory Agenda, a Regulatory Plan that contains a list of the Agency's most important and significant regulatory actions and a Statement of Regulatory Priorities is also included.......

...This Regulatory Agenda is a semiannual summary of all current and projected rulemakings and completed actions of the Small Business Administration (SBA). SBA expects that this summary information will enable the public to be more aware of, and effectively participate in, SBA's regulatory activity. SBA invites the public to submit comments on any aspect of this...

The overall objective of this project is to develop sensor-integrated ``intelligent`` diamond wheels for grinding of ceramics. Such wheels will be ``smart`` enough to monitor and supervise both the wheel preparation and grinding processes without the need to instrument the machine tool. Intelligent wheels will utilize re-useable cores integrated with sensors: to measure the acoustic emission (AE) and grinding force. Signals from the sensors will be transmitted from a rotating wheel to a receiver by telemetry. Wheels will be ``trained`` to recognize distinct characteristics associated with truing, dressing and grinding. This overall project is divided into six tasks as follows: (1) development of miniaturized sensors and data transmission system; (2) wheel design and sensor configuration; (3) calibration of the sensor integrated wheel; (4) training of the intelligent wheel; (5) grinding tests; and (6) prototype demonstration. The technical progress is summarized in this report according to the tasks. All activity during this period has been concerned with the first two interrelated tasks, which need to be completed before undertaking the remaining tasks.

The paper analyzes the structure of fast shocks incident upon interstellar gas of ambient density from 10 to the 7th per cu cm, while focusing on the problems of formation and destruction of molecules and infrared emission in the cooling, neutral post shock gas. It is noted that such fast shocks initially dissociate almost all preexisting molecules. Discussion covers the physical processes which determine the post shock structure between 10 to the 4 and 10 to the 2 K. It is shown that the chemistry of important molecular coolants H2, CO, OH, and H2O, as well as HD and CH, is reduced to a relatively small set of gas phase and grain surface reactions. Also, the chemistry follows the slow conversion of atomic hydrogen into H2, which primarily occurs on grain surfaces. The dependence of this H2 formation rate on grain and gas temperatures is examined and the survival of grains behind fast shocks is discussed. Post shock heating and cooling rates are calculated and an appropriate, analytic, universal cooling function is developed for molecules other than hydrogen which includes opacities from both the dust and the lines.

Molecular dynamics simulations were carried out on a Lennard-Jones binary mixture of rigid (fixed bond length) diatomic molecules. The translational and rotational correlation functions, and the corresponding susceptibilities, exhibit two relaxation processes: the slow structural relaxation (α dynamics) and a higher frequency secondary relaxation. The latter is a Johari-Goldstein (JG) process, by its definition of involving all parts of the molecule. It shows several properties characteristic of the JG relaxation: (1) merging with the α relaxation at high temperature; (2) a change in temperature dependence of its relaxation strength on vitrification; (3) a separation in frequency from the α peak that correlates with the breadth of the α dispersion; and (4) sensitivity to volume, pressure, and physical aging. These properties can be used to determine whether a secondary relaxation in a real material is an authentic JG process, rather than more trivial motion involving intramolecular degrees of freedom. The latter has no connection to the glass transition, whereas the JG relaxation is closely related to structural relaxation, and thus can provide new insights into the phenomenon. PMID:24229172

Classical MHC class I molecules open a window into the cell by presenting intracellular peptides (pMHC I) on the surface. The peptides are used for immune surveillance by circulating CD8+ T and NK cells to detect and eliminate infected or tumor cells. Not surprisingly, viruses and tumor cells have evolved immune evasion mechanisms to keep the window shades down and the cytotoxic cells oblivious to their presence. Here, we review counter mechanisms that nevertheless allow the immune system to detect and eliminate cells unable to properly process antigenic peptides in the endoplasmic reticulum. PMID:24556408

Our knowledge on microbial biogeography depends on the way we define and study diversity. In contrast to most microbes, some protist lineages have conspicuous structures that allow comparisons of diversity concepts and measures-those based on molecules and those based on morphology. We analyzed a group of shell-bearing planktonic ciliates, the tintinnids, in a coast-to-ocean gradient using high-throughput sequencing and microscopy. First, we compared molecular operational taxonomic units (OTUs) and morphospecies in terms of assemblage composition, distribution and relationships with the environment. OTUs revealed potentially novel and rare taxa, while morphospecies showed clearer correlations with environmental factors, and both approaches coincided in supporting a coastal versus oceanic pattern. Second, we explored which processes influence assembly across the environmental gradient examined. Assemblage fluctuations were associated with significant distance-decay and changes in morphospecies size and prey proxies, thus suggesting niche partitioning as a key structuring mechanism. Our conclusion is that molecules and morphologies generally agreed, but they provided complementary data, the first revealing hidden diversity, and the latter making better connections between distribution patterns and ecological processes. This highlights the importance of linking genotypes and phenotypes (using multidisciplinary analyses and/or reliable databases of barcoded species), to understand the diversity, biogeography and ecological roles of microbes. PMID:26849313

Bulk-heterojunction (BHJ) molecular blends prepared from small molecules based on diketopyrrolopyrrole (DPP) and perylene-diimide (PDI) chromophores have been studied using optical absorption, cyclic voltammetry, photoluminescence quenching, X-ray diffraction, atomic force microscopy, and current-voltage measurements. The results provided useful insights into the use of DPP and PDI based molecules as donor-acceptor composites for organic photovoltaic (OPV) applications. Beside optoelectronic compatibility, the choice of active layer processing conditions is of key importance to improve the performance of BHJ solar cells. In this context, post-production treatments, viz. thermal and solvent vapour annealing, and the use of 1,8-diiodooctane as a solvent additive were employed to optimize the morphology of blend films. X-ray diffraction and atomic force microscopy indicated that the aforementioned processing strategies led to non-optimal composite morphologies with significantly large crystallites in comparison to exciton diffusion lengths. Although the open circuit voltage of the OPV devices was satisfactory (0.78 V), it was anticipated that the bulky domains hamper charge dissociation and transport, which resulted in low photovoltaic performance. PMID:27087259

DTS-(FBTTh2)2 is a prominent solution-processable small-molecule donor for donor-acceptor bulk-heterojunction organic photovoltaics. Power conversion efficiency of DTS-(FBTTh2)2 based photovoltaic devices exceeds 8%. This paper reports on the distribution of sub-bandgap trap states in DTS-(FBTTh2)2. Trap states were probed using admittance spectroscopy and low-frequency capacitance-voltage profiling and analyzed using established theoretical models. Three distributions were revealed in the trap density of states energy spectra. Key observations were (1) thicker solution-processed films with higher drying time had 55% less traps than thinner films that dried relative faster (2) blending of DTS-(FBTTh2)2 with the acceptor PC70BM introduced traps at the center of the donor-acceptor interfacial bandgap. Charge carrier dynamics in DTS-(FBTTh2)2 based thin-films was also characterized using impedance spectroscopy.

Line printing offers a feasible approach to remove the pixel well structure which is widely used to confine the ink-jet printed solution. In the study, a uniform line is printed by an ink-jet printer. To achieve a uniform surface profile of the printed line, 10vol% low-volatile solvent DMA (3,4-Dimethylanisole) is mixed with high-volatile solvent Pxy (p-xylene) as the solvent. After a solution-processable small molecule is dissolved, the surface tension of DMA solution becomes lower than that of Pxy solution, which creates an inward Marangoni flow during the solvent evaporation. The inward Marangoni flow balances out the outward capillary flow, thereby forming a flat film surface. The line width of the printed line depends on the contact angle of the solution on the hole injection layer. PMID:26669496

We demonstrate hybrid solar cells with ZnO-nanorods (ZnO-NRs) prepared by a low temperature electrochemical method and small molecule organic absorber processed by dry organic vapor phase deposition. A homogeneous coverage of ZnO-NRs by the blend absorber consisting of zinc phthalocyanine (ZnPc) as donor and of fullerene C60 as acceptor is best realized when a thin C60 layer is first inserted at the ZnO-NR/ZnPc:C60 interface. ZnO-NR/C60/ZnPc:C60/MoO3/Ag solar cell devices with efficiencies of 2.8% under an illumination of 100 mW/cm2 at 25 °C are demonstrated.

Advantages of semiconducting small molecules-as opposed to semiconducting polymers-include synthetic simplicity, monodispersity, low cost, and ease of purification. One purported disadvantage of small-molecule films is reduced mechanical robustness. This paper measures the tensile modulus and crack-onset strain for pure films of the high-performance solution-processable small-molecule donors 7,7'-[4,4-bis(2-ethylhexyl)-4H-silolo[3,2-b:4,5-b']dithiophene-2,6-diyl]bis[6-fluoro-4-(5'-hexyl-[2,2'-bithiophen]-5-yl)benzo[c][1,2,5]thiadiazole] (DTS(FBTTh2)2), 2,5-di(2-ethylhexyl)-3,6-bis(5″-n-hexyl-[2,2',5',2″]terthiophen-5-yl)-pyrrolo[3,4-c]pyrrole-1,4-dione (SMDPPEH), and 6,13-bis(triisopropylsilylethynyl)pentacene (TIPS-pentacene), the acceptor 5,5'-(2,1,3-benzothiadiazole-4,7-diyldi-2,1-ethenediyl)bis[2-hexyl-1H-isoindole-1,3(2H)-dione] (HPI-BT), blends of DTS(FBTTh2)2 and SMDPPEH with [6,6]-phenyl C71 butyric acid methyl ester (PC71BM) and with HPI-BT, and bulk heterojunction films processed with the additives 1,8-diiodooctane (DIO) and polystyrene (PS). The most deformable films of solution-processed organic semiconductors are found to exhibit tensile moduli and crack-onset strains comparable to those measured for conjugated polymers. For example, the tensile modulus of as-cast DTS(FBTTh2)2 is 0.68 GPa (i.e., comparable to poly(3-hexylthiophene) (P3HT), the common polymer), while it exhibits no cracks when stretched on an elastomeric substrate to strains of 14%. While this high degree of stretchability is lost upon the addition of PC71BM (4.2 GPa, 1.42%), it can be partially recovered using processing additives. Tensile modulus and crack-onset strain are highly correlated, which is typical of van der Waals solids. Increased surface roughness was correlated to increased modulus and brittleness within films of similar composition. Decreased stiffness for soluble molecular semiconductors can be rationalized by the presence of alkyl side chains, which decrease the

Background Human embryonic stem cells (hESCs) are an attractive resource for new therapeutic approaches that involve tissue regeneration. hESCs have exhibited low immunogenicity due to low levels of Mayor Histocompatibility Complex (MHC) class-I and absence of MHC class-II expression. Nevertheless, the mechanisms regulating MHC expression in hESCs had not been explored. Methodology/Principal Findings We analyzed the expression levels of classical and non-classical MHC class-I, MHC class-II molecules, antigen-processing machinery (APM) components and NKG2D ligands (NKG2D-L) in hESCs, induced pluripotent stem cells (iPSCs) and NTera2 (NT2) teratocarcinoma cell line. Epigenetic mechanisms involved in the regulation of these genes were investigated by bisulfite sequencing and chromatin immunoprecipitation (ChIP) assays. We showed that low levels of MHC class-I molecules were associated with absent or reduced expression of the transporter associated with antigen processing 1 (TAP-1) and tapasin (TPN) components in hESCs and iPSCs, which are involved in the transport and load of peptides. Furthermore, lack of β2-microglobulin (β2m) light chain in these cells limited the expression of MHC class I trimeric molecule on the cell surface. NKG2D ligands (MICA, MICB) were observed in all pluripotent stem cells lines. Epigenetic analysis showed that H3K9me3 repressed the TPN gene in undifferentiated cells whilst HLA-B and β2m acquired the H3K4me3 modification during the differentiation to embryoid bodies (EBs). Absence of HLA-DR and HLA-G expression was regulated by DNA methylation. Conclusions/Significance Our data provide fundamental evidence for the epigenetic control of MHC in hESCs and iPSCs. Reduced MHC class I and class II expression in hESCs and iPSCs can limit their recognition by the immune response against these cells. The knowledge of these mechanisms will further allow the development of strategies to induce tolerance and improve stem cell allograft acceptance

... 45 Public Welfare 3 2010-10-01 2010-10-01 false Semi-annual compilation. 1158.600 Section 1158.600 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE ARTS NEW RESTRICTIONS ON LOBBYING Agency Reports § 1158.600 Semi-annual compilation. (a) The head of...

A kinetic model of the processes occurring in the plasma of a high-power low-pressure gas-discharge lamp is presented, and the output characteristics of the lamp are described. The lamp is excited by a longitudinal glow discharge and emits the I{sub 2}(D Prime -A Prime ) 342-nm and XeI(B-X) 253-nm bands and the 206.2-nm spectral line of atomic iodine. When the emitter operates in a sealed-off mode on the p(He): p(Xe): p(I{sub 2}) = 400: 120: (100-200) Pa mixture, the fractions of the UV radiation power of iodine atoms, exciplex molecules of xenon iodide, and iodine molecules comprise 55, 10, and 35%, respectively. At the optimal partial pressure, the maximum total radiation power of the lamp reaches 37 W, the energy efficiency being about 15%.

During these last years, many investigations have been made on sulphur elimination processes from hydrocarbon feedstocks because of environmental regulations which are more and more strict. This is a study on a plasma process dedicated to heavy hydrocarbon hydrotreatment and hazardous substances removing such as sulphur compounds. It is a co-processing of a fluidized spouted bed and an inductively coupled plasma working at atmospheric pressure. A high flow of hydrogen radicals is generated and a rapid quench of the plasma leads to an increase of hydrogen radical life-time and promotes chemical reactions of desulfurization at low temperature (700-900 K). The primary objective of this work is to understand the cleavage of C-S bond under these plasma conditions. To this end, thermodynamic calculations are done and preliminary experiments are carried out with different mixtures where n-hexadecane is chosen as the model molecule in hydrocarbon hydrocracking, and sulphur compounds are added in small amounts (0-1 % S wt). Compounds such as dimethyl sulphide, 2-butanethiol, benzothiophene and thiophene are currently studied. The influence of CH{sub 3}{degrees}, H{degrees}, HS{degrees} and PhS{degrees} (C{sub 6}H{sub 5}S{degrees}) is also considered.

During these last years, many investigations have been made on sulfur elimination processes from hydrocarbons feedstocks because of environmental regulations which are more and more strict. This is a study on a plasma process dedicated to heavy hydrocarbon hydrotreatment and hazardous substances removing such as sulphur compounds. It is a co-processing of a fluidized spouted bed and an inductively coupled plasma working at atmospheric pressure. A high flow of hydrogen radicals is generated and a rapid quench of the plasma leads to an increase of hydrogen radical life-time and promotes chemical reactions of desulfurization at low temperature (700-900 K). The primary objective of this work is to understand the cleavage of C-S bond under these plasma conditions. To this end, thermodynamical calculations are done and preliminary experiments are carried out with different mixtures where n-hexadecane is chosen as the model molecule in hydrocarbon hydrocracking, and sulfur compounds are added in small amounts (0-1% s mass). Compounds such as dimethyl sulfide, 2-butanethiol, benzothiophen and thiophen are currently studied. The influence of CH3{degrees}, H{degrees}, HS{degrees} and {Phi} is also considered.

Th1 cell responses to the variant surface glycoprotein (VSG) of African trypanosomes play a critical role in controlling infection through the production of IFN-γ, but the role of antigen presenting cells (APCs) in the induction and regulation of T cell mediated protection is poorly understood. In this study, we have investigated the antigen presentation capabilities of dendritic cells (DCs) and macrophages (MPs) during early trypanosome infection in relatively resistant responder and susceptible non-responder mouse strains. Splenic DCs appeared to be the primary cell responsible for activating naive VSG-specific Th cell responses in resistant responder animals through the coordinated up-regulation of costimulatory molecules, secretion of IL-12, and presentation of VSG peptides to T cells in vivo. Splenic DC depletion and the down-regulation of costimulatory markers on splenic MPs were observed in susceptible animals and may be associated with the inability of these animals to elicit a significant VSG-specific T cell response. In contrast to splenic APCs, peritoneal MPs secreted NO, failed to activate naïve Th cells in vitro, and presented relatively low levels of VSG peptides to T cells in vivo. Thus, VSG-specific Th1 cell responses may be determined by tissue- and cell-specific differences in antigen presentation. Additionally, all APCs from resistant and susceptible strains displayed a reduced ability to process and present newly encountered exogenous antigen, including new VSG molecules, during high parasitemia. Thus, initial uptake of VSG (or other trypanosome factors) may interfere with antigen presentation and have dramatic consequences for subsequent T cell responses to other proteins. PMID:19675169

DNA helicases are enzymes capable of unwinding double-stranded DNA (dsDNA) to provide the single-stranded DNA template required in many biological processes. Among these, UvrD, an essential DNA repair enzyme, has been shown to unwind dsDNA while moving 3'-5' on one strand. Here, we use a single-molecule manipulation technique to monitor real-time changes in extension of a single, stretched, nicked dsDNA substrate as it is unwound by a single enzyme. This technique offers a means for measuring the rate, lifetime, and processivity of the enzymatic complex as a function of ATP, and for estimating the helicase step size. Strikingly, we observe a feature not seen in bulk assays: unwinding is preferentially followed by a slow, enzyme-translocation-limited rezipping of the separated strands rather than by dissociation of the enzymatic complex followed by quick rehybridization of the DNA strands. We address the mechanism underlying this phenomenon and propose a fully characterized model in which UvrD switches strands and translocates backwards on the other strand, allowing the DNA to reanneal in its wake. helicase | DNA replication | DNA repair | magnetic tweezers

DNA helicases are enzymes capable of unwinding double-stranded DNA (dsDNA) to provide the single-stranded DNA template required in many biological processes. Among these, UvrD, an essential DNA repair enzyme, has been shown to unwind dsDNA while moving 3'-5' on one strand. Here, we use a single-molecule manipulation technique to monitor real-time changes in extension of a single, stretched, nicked dsDNA substrate as it is unwound by a single enzyme. This technique offers a means for measuring the rate, lifetime, and processivity of the enzymatic complex as a function of ATP, and for estimating the helicase step size. Strikingly, we observe a feature not seen in bulk assays: unwinding is preferentially followed by a slow, enzyme-translocation-limited rezipping of the separated strands rather than by dissociation of the enzymatic complex followed by quick rehybridization of the DNA strands. We address the mechanism underlying this phenomenon and propose a fully characterized model in which UvrD switches strands and translocates backwards on the other strand, allowing the DNA to reanneal in its wake. PMID:15079074

Electron-induced polymerization processes and charging events that can occur within Titan's atmosphere or on its surface were simulated using electron irradiation and dissociative electron attachment (DEA) studies of nitrogen-containing organic condensates. The DEA studies probe the desorption of H- from hydrogen cyanide (HCN), acetonitrile (CH3CN), and aminoacetonitrile (NH2CH2CN) ices, as well as from synthesized tholin materials condensed or deposited onto a graphite substrate maintained at low temperature (90-130 K). The peak cross sections for H- desorption during low-energy (3-15 eV) electron irradiation were measured and range from 3 × 10-21 to 2 × 10-18 cm2. Chemical and structural transformations of HCN ice upon 2 keV electron irradiation were investigated using X-ray photoelectron and Fourier-transform infrared spectroscopy techniques. The electron-beam processed materials displayed optical properties very similar to tholins produced by conventional discharge methods. Electron and negative ion trapping lead to 1011 charges cm-2 on a flat surface which, assuming a radius of 0.05 μm for Titan aerosols, is ∼628 charges/radius (in μm). The facile charge trapping indicates that electron interactions with nitriles and complex tholin-like molecules could affect the conductivity of Titan's atmosphere due to the formation of large negative ion complexes. These negatively charged complexes can also precipitate onto Titan's surface and possibly contribute to surface reactions and the formation of dunes.

Zero-mode waveguides provide a powerful technology for studying single-molecule real-time dynamics of biological systems at physiological ligand concentrations. We customized a commercial zero-mode waveguide-based DNA sequencer for use as a versatile instrument for single-molecule fluorescence detection and showed that the system provides long fluorophore lifetimes with good signal to noise and low spectral cross-talk. We then used a ribosomal translation assay to show real-time fluidic delivery during data acquisition, showing it is possible to follow the conformation and composition of thousands of single biomolecules simultaneously through four spectral channels. This instrument allows high-throughput multiplexed dynamics of single-molecule biological processes over long timescales. The instrumentation presented here has broad applications to single-molecule studies of biological systems and is easily accessible to the biophysical community. PMID:24379388

The objective of this program is to develop key knowledge and make critical connections between technologies needed to enable low-cost manufacturing of OLED lighting products. In particular, the program was intended to demonstrate the feasibility of making high performance Small-Molecule OLEDs (SM-OLED) using a roll-to-roll (R2R) wet-coating technique by addressing the following technical risks (1) Whether the wet-coating technique can provide high performance OLEDs, (2) Whether SM-OLED can be made in a R2R manner, (3) What are the requirements for coating equipment, and (4) Whether R2R OLEDs can have the same performance as the lab controls. The program has been managed and executed according to the Program Management Plan (PMP) that was first developed at the beginning of the program and further revised accordingly as the program progressed. Significant progress and risk reductions have been accomplished by the end of the program. Specific achievements include: (1) Demonstrated that wet-coating can provide OLEDs with high LPW and long lifetime; (2) Demonstrated R2R OLEDs can be as efficient as batch controls (Figure 1) (3) Developed & validated basic designs for key equipment necessary for R2R SM-OLEDs; (4) Developed know-hows & specifications on materials & ink formulations critical to wetcoating; (5) Developed key R2R processes for each OLED layer (6) Identified key materials and components such as flexible barrier substrates necessary for R2R OLEDs.

Background Particulate air pollution has been associated with cardiovascular morbidity and mortality, but it remains unclear which time windows and pollutant sources are most critical. MicroRNA (miRNA) is thought to be involved in cardiovascular regulation. However, little is known about whether polymorphisms in genes that process microRNAs influence response to pollutant exposure. We hypothesized that averaging times longer than routinely measured one or two day moving averages are associated with higher soluble intercellular adhesion molecule-1 (sICAM-1) and vascular cell adhesion molecule-1 (sVCAM-1) levels, and that stationary and mobile sources contribute differently to these effects. We also investigated whether single nucleotide polymorphisms (SNPs) in miRNA-processing genes modify these associations. Methods sICAM-1 and sVCAM-1 were measured from 1999-2008 and matched to air pollution monitoring for fine particulate matter (PM2.5) black carbon, and sulfates (SO42-). We selected 17 SNPs in five miRNA-processing genes. Mixed-effects models were used to assess effects of pollutants, SNPs, and interactions under recessive inheritance models using repeated measures. Results 723 participants with 1652 observations and 1-5 visits were included in our analyses for black carbon and PM2.5. Sulfate data was available for 672 participants with 1390 observations. An interquartile range change in seven day moving average of PM2.5 (4.27 μg/m3) was associated with 3.1% (95%CI: 1.6, 4.6) and 2.5% (95%CI: 0.6, 4.5) higher sICAM-1 and sVCAM-1. Interquartile range changes in sulfates (1.39 μg/m3) were associated with 1.4% higher (95%CI: 0.04, 2.7) and 1.6% (95%CI: -0.4, 3.7) higher sICAM-1 and sVCAM-1 respectively. No significant associations were observed for black carbon. In interaction models with PM2.5, both sICAM-1 and sVCAM-1 levels were lower in rs1062923 homozygous carriers. These interactions remained significant after multiple comparisons adjustment. Conclusions PM

The dissociation CO2( X 1Σ) + M → CO( X 1Σ) + O(3P) + M and recombination CO( X 1Σ) + O(3P) + M → CO2( X 1Σ) + M processes are considered with the spin—orbit coupling taken into account in the ground and several excited states of the CO2 molecule. Because of the specific features of mutual position of potential energy surfaces of the CO2 molecule in the ground and several excited states and the large values of spin—orbit interaction matrix elements, which causes the quantum nonadiabatic transition of the molecule from one state to another, these processes become effectively spin-allowed and the rate constants for the nonadiabatic reactions have large values. The proposed dissociation and recombination mechanisms include reactions involving singlet—triplet crossings.

In this paper, we report theoretical electron impact ionization cross sections from threshold to 2000 eV for isocarbonic open chain molecules C{sub 4}H{sub 6}, C{sub 4}H{sub 8}, C{sub 4}F{sub 6} including their isomers, and closed chain molecules c-C{sub 4}H{sub 8} and c-C{sub 4}F{sub 8}. Theoretical formalism employed presently, viz., Complex Scattering Potential-ionization contribution method has been used successfully for a variety of polyatomic molecules. The present ionization calculations are very important since results available for the studied targets are either scarce or none. Our work affords comparison of C{sub 4} containing hydrocarbon versus fluorocarbon molecules. Comparisons of the present ionization cross sections are made wherever possible, and new ionization data are also presented.

The conductor-like polarization model (C-PCM) with switching/Gaussian smooth discretization is a widely used implicit solvation model in chemical simulations. However, its application in quantum mechanical calculations of large-scale biomolecular systems can be limited by computational expense of both the gas phase electronic structure and the solvation interaction. We have previously used graphical processing units (GPUs) to accelerate the first of these steps. Here, we extend the use of GPUs to accelerate electronic structure calculations including C-PCM solvation. Implementation on the GPU leads to significant acceleration of the generation of the required integrals for C-PCM. We further propose two strategies to improve the solution of the required linear equations: a dynamic convergence threshold and a randomized block-Jacobi preconditioner. These strategies are not specific to GPUs and are expected to be beneficial for both CPU and GPU implementations. We benchmark the performance of the new implementation using over 20 small proteins in solvent environment. Using a single GPU, our method evaluates the C-PCM related integrals and their derivatives more than 10× faster than that with a conventional CPU-based implementation. Our improvements to the linear solver provide a further 3× acceleration. The overall calculations including C-PCM solvation require, typically, 20-40% more effort than that for their gas phase counterparts for a moderate basis set and molecule surface discretization level. The relative cost of the C-PCM solvation correction decreases as the basis sets and/or cavity radii increase. Therefore, description of solvation with this model should be routine. We also discuss applications to the study of the conformational landscape of an amyloid fibril. PMID:26575750

The evaporation/condensation coefficient (β) and the evaporation rate (γ) for n-dodecane vs. temperature, gas pressure, gas and liquid density, and solvation effects at a droplet surface are analysed using quantum chemical density functional theory calculations of several ensembles of conformers of n-dodecane molecules in the gas phase (hybrid functional ωB97X-D with the cc-pVTZ and cc-pVDZ basis sets) and in liquid phase (solvation method: SMD/ωB97X-D). It is shown that β depends more strongly on a number of neighbouring molecules interacting with an evaporating molecule at a droplet surface (this number is estimated through changes in the surface Gibbs free energy of solvation) than on pressure in the gas phase or conformerisation and cross-conformerisation of molecules in both phases. Thus, temperature and the surrounding effects at droplet surfaces are the dominant factors affecting the values of β for n-dodecane molecules. These values are shown to be similar (at reduced temperatures T/T{sub c} < 0.8) or slightly larger (at T/T{sub c} > 0.8) than the values of β calculated by the molecular dynamics force fields (MD FF) methods. This endorses the reliability of the previously developed classical approach to estimation of β by the MD FF methods, except at temperatures close to the critical temperature.

The evaporation/condensation coefficient (β) and the evaporation rate (γ) for n-dodecane vs. temperature, gas pressure, gas and liquid density, and solvation effects at a droplet surface are analysed using quantum chemical density functional theory calculations of several ensembles of conformers of n-dodecane molecules in the gas phase (hybrid functional ωB97X-D with the cc-pVTZ and cc-pVDZ basis sets) and in liquid phase (solvation method: SMD/ωB97X-D). It is shown that β depends more strongly on a number of neighbouring molecules interacting with an evaporating molecule at a droplet surface (this number is estimated through changes in the surface Gibbs free energy of solvation) than on pressure in the gas phase or conformerisation and cross-conformerisation of molecules in both phases. Thus, temperature and the surrounding effects at droplet surfaces are the dominant factors affecting the values of β for n-dodecane molecules. These values are shown to be similar (at reduced temperatures T/Tc < 0.8) or slightly larger (at T/Tc > 0.8) than the values of β calculated by the molecular dynamics force fields (MD FF) methods. This endorses the reliability of the previously developed classical approach to estimation of β by the MD FF methods, except at temperatures close to the critical temperature. PMID:25612715

Small interfering RNAs (siRNAs) and microRNAs (miRNAs) are sequence-specific post-transcriptional regulators of gene expression. Although major components of the RNA interference (RNAi) pathway have been identified, regulatory mechanisms for this pathway remain largely unknown. Here we demonstrate that the RNAi pathway can be modulated intracellularly by small molecules. We have developed a cell-based assay to monitor the activity of the RNAi pathway and find that the small-molecule enoxacin (Penetrex) enhances siRNA-mediated mRNA degradation and promotes the biogenesis of endogenous miRNAs. We show that this RNAi-enhancing activity depends on the trans-activation-responsive region RNA-binding protein. Our results provide a proof-of-principle demonstration that small molecules can be used to modulate the activity of the RNAi pathway. RNAi enhancers may be useful in the development of research tools and therapeutics. PMID:18641635

We numerically investigate the possibilities of driving quantum algorithms with laser pulses in a register of ultracold NaCs polar molecules in a static electric field. We focus on the possibilities of performing scalable logical operations by considering circuits that involve intermolecular gates (implemented on adjacent interacting molecules) to enable the transfer of information from one molecule to another during conditional laser-driven population inversions. We study the implementation of an arithmetic operation (the addition of 0 or 1 on a binary digit and a carry in) which requires population inversions only and the Deutsch-Jozsa algorithm which requires a control of the phases. Under typical experimental conditions, our simulations show that high-fidelity logical operations involving several qubits can be performed in a time scale of a few hundreds of microseconds, opening promising perspectives for the manipulation of a large number of qubits in these systems.

The First Semiannual Report of the National Aeronautics and Space Administration (NASA) is submitted to Congress pursuant to section 206 (a) of the National Aeronautics and Space Act of 1958 (Public Law 85-568) to provide for research into problems of flight within and outside the Earth's atmosphere, which states: The Administration shall submit to the President for transmittal to Congress, semiannually and at such other times as it deems desirable, a report on its activities and accomplishments.

The unusual features of quantum mechanics are enabling the development of technologies not possible with classical physics. These devices utilize nonclassical phenomena in the states of atoms, ions, and solid-state media as the basis for many prototypes. Here we investigate molecular states as a distinct alternative. We demonstrate a memory for light based on storing photons in the vibrations of hydrogen molecules. The THz-bandwidth molecular memory is used to store 100-fs pulses for durations up to ˜1ns, enabling ˜104 operational time bins. The results demonstrate the promise of molecules for constructing compact ultrafast quantum photonic technologies.

We report on 10 GHz operation of an all-optical gate based on an Indium Phosphide Photonic Crystal Molecule. Wavelength conversion and all-optical mixing of microwave signals are demonstrated using the 2 mW output of a mode locked diode laser. The spectral separation of the optical pump and signal is crucial in suppressing optical cross-talk.

In the volume of a hydrogen discharge, H/sub 2/ molecules, excited to high vibrational levels (v'' > 6), are formed either by fast-electron collisions or from H/sub 2//sup +/ ions that are accelerated across the discharge-wall potential that undergo Auger neutralization prior to impact with the discharge chamber wall. We have used computer molecular dynamics to study the de-excitation and re-excitation of vibrationally-excited H/sub 2/ molecules undergoing repeated wall collisions. The initial translational energies range from thermal to 100 eV and the initial vibrational states range from v'' = 2 to v'' = 12. The average loss or gain of vibrational, rotational, translational, and total molecular energies and the survival rates of the molecules have been evaluated. At thermal energies vibrational de-excitation is the predominant process, and a consistent picture emerges of rapid energy redistribution into all the molecular degrees of freedom and a slower rate of loss of total molecular energy to the wall. At higher translational energies (1 to 100 eV) a substantial fraction of the molecules survive with large (v'' > 6) vibrational energy. This vibrational population provides a contribution to the total excited vibrational population comparable to that from the fast-electron collision process.

The infection of a cell with influenza virus comprises the stages of receptor binding to the cell membrane, endocytosis of virus particle, and fusion of the virus envelope and cell endosome membrane, which is determined by the conformational changes in hemagglutinin, a virus envelope protein, caused by pH decrease within the endosome. The pH value that induces conformation rearrangements of hemagglutinin molecule considerably varies for different influenza virus strains, first and foremost, due to the differences in amino acid structure of the corresponding proteins. The main goal of this study was to construct a model making it possible to assess the critical pH value characterizing the fusogenic activity of influenza virus hemagglutinin from the data on hemagglutinin structure and experimental verification of this model. Under this model, we assume that when the electrostatic force between interacting hemagglutinin molecules in the virus envelop exceeds a certain value, the hemagglutinin HA1 subunits are arranged so that they form a cavity sufficient for penetration of water molecules. This event leads to an irreversible hydration of the inner fragments of hemagglutinin molecule in a trimer and to the completion of conformational changes. The geometry of electrostatic field in hemagglutinin trimer was calculated taking into account the polarization effects near the interface of two dielectrics, aqueous medium and protein macromolecule. The critical pH values for the conformational changes in hemagglutinin were measured by the erythrocyte hemolysis induced by influenza virus particles when decreasing pH. The critical pH value conditionally separating the pH range into the regions with and without the conformational changes was calculated for several influenza virus H1N1 and H3N2 strains based on the data on the amino acid structure of the corresponding hemagglutinin molecules. Comparison of the theoretical and experimental values of critical pH values for

... 31 Money and Finance: Treasury 2 2010-07-01 2010-07-01 false What is the semiannual inflation rate... BONDS, SERIES I General Information § 359.11 What is the semiannual inflation rate? The index used to determine the semiannual inflation rate is the non-seasonally adjusted CPI-U (the Consumer Price Index...

... 31 Money and Finance:Treasury 2 2013-07-01 2013-07-01 false Composite Semiannual Rate Period Table... SAVINGS BONDS, SERIES I Pt. 359, App. B Appendix B to Part 359—Composite Semiannual Rate Period Table 1. What months make up the composite semiannual rate period? You may use the following table to find...

... 31 Money and Finance:Treasury 2 2012-07-01 2012-07-01 false Composite Semiannual Rate Period Table... SAVINGS BONDS, SERIES I Pt. 359, App. B Appendix B to Part 359—Composite Semiannual Rate Period Table 1. What months make up the composite semiannual rate period? You may use the following table to find...

... 31 Money and Finance: Treasury 2 2014-07-01 2014-07-01 false Composite Semiannual Rate Period... SAVINGS BONDS, SERIES I Pt. 359, App. B Appendix B to Part 359—Composite Semiannual Rate Period Table 1. What months make up the composite semiannual rate period? You may use the following table to find...

This patent describes a recombinant DNA molecule. In comprises a DNA sequence coding for a phospholopase inhibitor polypeptide and being selected from the group consisting of: the cDNA insert of ALC, DNA sequences which code on expression for a phospholopase inhibitor, and DNA sequences which are degenerate as a result of the genetic code to either of the foregoing DNA sequences and which code on expression for a phospholipase inhibitor.

A new small molecule, p-DTS(FBTTh(2))(2), is designed for incorporation into solution-fabricated high-efficiency organic solar cells. Of primary importance is the incorporation of electron poor heterocycles that are not prone to protonation and thereby enable the incorporation of commonly used interlayers between the organic semiconductor and the charge collecting electrodes. These features have led to the creation of p-DTS(FBTTh(2))(2)/PC(71)BM solar cells with power conversion efficiencies of up to 7%. PMID:22674636

The time-and-frequency resolved nonlinear light scattering (NLS) signals from a time evolving charge distribution of valence electrons prepared by impulsive X-ray pulses are calculated using a superoperator Green's function formalism. The signal consists of a coherent ~ N2-scaling difference frequency generation and an incoherent fluorescence ~ N-scaling component where N is the number of active molecules. The former is given by the classical Larmor formula based on the time-dependent charge density. The latter requires additional information about the electronic structure and may be recast in terms of transition amplitudes representing quantum matter pathways. PMID:24465122

This is the first issue from the Lawrence Livermore National Laboratory of The Environmental Restoration/Waste Management-Applied Technology (ER/WM-AT) Semiannual Report, a continuation of the Advanced Processing Technology (APT) Semiannual Report. The name change reflects the consolidation of the APT Program with the Environmental Restoration and Waste Management Program to form the Environmental Restoration/Waste Management-Applied Technology (ER/WM-AT) Program. The Livermore site mirrors, on a small scale, many of the environmental and waste management problems of the DOE Complex. The six articles in this issue cover incineration- alternative technologies, process development for waste minimization, the proposed Mixed Waste Management Facility, dynamic underground stripping, electrical resistance tomography, and Raman spectroscopy for remote characterization of underground tanks.

This patent describes a process for increasing the yield of a bovine growth hormone-like polypeptide to at least 100 times that of a bovine growth hormone-like polypeptide encoded by a DNA sequence. The process comprises the steps of culturing a host transformed with a recombinant DNA molecule comprising DNA sequence encoding a Met ..lambda.. or ..lambda.. bovine growth hormone-like polypetide operatively linked to an expression control sequence. The ..lambda.. is an amino terminal deletion from the amino acid sequence of mature bovine growth hormone.

Some 70 different molecular species have so far been detected variously in diffuse interstellar clouds, dense interstellar clouds, and circumstellar shells. Only simple (diatomic and triatomic) species exist in diffuse clouds because of the penetration of destructive UV radiations, whereas more complex (polyatomic) molecules survive in dense clouds as a result of the shielding against this UV radiation provided by dust grains. A current list of interstellar molecules is given together with a few other molecular species that have so far been detected only in circumstellar shells. Also listed are those interstellar species that contain rare isotopes of several elements. The gas phase ion chemistry is outlined via which the observed molecules are synthesized, and the process by which enrichment of the rare isotopes occurs in some interstellar molecules is described.

The invention is a device including array of active regions for use in reacting one or more species in at least two of the active regions in a sequential process, e.g., sequential reactions. The device has a transparent substrate member, which has a surface region and a silane material overlying the surface region. A first active region overlies a first portion of the silane material. The first region has a first dimension of less than 1 micron in size and has first molecules capable of binding to the first portion of the silane material. A second active region overlies a second portion of the silane material. The second region has a second dimension of less than 1 micron in size, second molecules capable of binding to the second portion of the active region, and a spatial distance separates the first active region and the second active region.

In this work we study the ion impact induced fragmentation of small molecules, which are relevant for radiation damage studies in biological tissues. We present double differential ion emission yields for collisions of N{sup 6+} ions with water and methane molecules at 15 and 30 keV impact energies. The angular distribution of the fragment ions shows post-collision and nucleus-nucleus binary collision effects. In the multiple capture energy range, a strong interplay is indicated between the Coulomb explosion and the binary collision mechanisms. In the energy region, where triple capture is dominant, an unexpected angular distribution was found for water fragments, which may be attributed to orientation sensitivity of some of the capture channels. Such processes are relevant for astrophysics and radiation therapy.

In human beings, as well as in most non-human primates, the major peripheral γδ T cell subset, which accounts several percent of the whole lymphoid cells pool in adults, carries an heterodimeric TCR composed of Vγ9 and Vδ2 chains. Vγ9Vδ2 T cells are specifically and strongly activated by small organic pyrophosphate molecules termed phosphoantigens (phosphoAg). These low molecular weight compounds are metabolites that are produced by either microbes or endogenously, as intermediates of the mammalian mevalonate pathway, and can accumulate intracellularly during cell stress like transformation or infection. Despite the characterization of numerous natural and synthetic phosphoAg, the mechanism(s) underlying the unique and specific antigenic activation process induced by these compounds remains poorly understood. Activation is both TCR- and cell-to-cell contact-dependent, and results of previous studies have also strongly suggested a key contribution of membrane-associated molecules of primate origin expressed on target cells. The recent identification of B7-related butyrophilin (BTN) molecules CD277/BTN3A, and more precisely their BTN3A1 isoforms, as mandatory molecules in the phosphoAg-induced recognition of target cells by Vγ9Vδ2 T cells opens important opportunities for research and applications in this field. Here, we review the unusual and complex antigenic reactivity of human Vγ9Vδ2 T cells. We highlight the recent advances in our understanding of this process, and propose a model that integrates the type I glycoprotein BTN3A1 and its intracellular B30.2 domain as a physical intermediate implicated in the detection of dysregulated intracellular levels of phosphoAg and the sensing of cell stress by Vγ9Vδ2T cells. A better understanding of this mechanism will help optimize novel immunotherapeutical approaches that utilize the unique functional potential of this major γδ T cell subset. PMID:25601861

Elaborate chemical design is of utmost importance in order to slow down the relaxation dynamics in single-molecule magnets (SMMs) and hence improve their potential applications. Much interest was devoted to the study of distinct relaxation processes related to the different crystal fields of crystallographically independent lanthanide ions. However, the assignment of the relaxation processes to specific metal sites remains a challenging task. To address this challenge, a new asymmetric Dy2 SMM displaying a well-separated two-step relaxation process with the anisotropic centers in fine-tuned local environments was elaborately designed. For the first time a one-to-one relationship between the metal sites and the relaxation processes was evidenced. This work sheds light on complex multiple relaxation and may direct the rational design of lanthanide SMMs with enhanced magnetic properties. PMID:26670125

We report highly efficient small molecule solar cells (SMSCs) by using dichloromethane solvent vapor annealing method. The resulted devices delivered a power conversion efficiency (PCE) of 8.3%, which is among the highest in SMSCs. Comparing to the control devices, the short circuit current (Jsc), fill factor, and PCE of solvent vapor annealed devices are significantly improved. Summarizing the results of optical absorption, film morphology, and charge carrier transporting properties, we see that the enhanced structure order and reduced size of phase separation are major reasons for the improved device performances, establishing a solid structure-property relationship. The solvent vapor annealing method can thus be a useful method in device fabrication to enhance performances of SMSCs.

A growing body of data reveals that the membrane cholesterol molecules can alter the signaling pathways of living cells. However, the understanding about how membrane cholesterol modulates receptor proteins remains lacking. In this study we applies single-molecule optical tracking on ligand-induced dimerization process of EGFRs in the plasma membranes of several cancer and normal cell lines. We tracked individual EGFR and dual correlated receptors in the plasma membranes of live cells. We developed an energetic model based on the generalized Langevin equation and the Cahn-Hilliard equation to help extracting information from single-molecule trajectories. From the study, we discovered that ligand-bound EGFRs move from non-raft areas into lipid raft domains. This ligand-induced motion is a common behavior for all cell lines under study. By manipulating the total amount of cholesterol with methyl- β-cyclodextrin and the local concentration of cholesterol with nystatin, we found that the amount of cholesterol can affect the stability of EGFR dimers. The EGFR dimers in the plasma membrane of normal cells are more sensitive to the local concentration changes of cholesterol than EGFR dimers in the cancer cells.

We report a novel modification of silicone elastomer, polydimethylsiloxane (PDMS) with a polymer graft that allows interfacial bonding between elastomer and glass substrate to be performed without exposure of said substrate to harsh treatment conditions like oxygen plasma. Organic molecules can thus be patterned within microfluidic channels and still remain functional post-bonding. In addition, after polymer grafting the PDMS can be stored in a desiccator for at least 40 days, and activated upon exposure to acidic buffer for bonding. The bonded devices remain fully bonded in excess of 80 psi driving pressure, with no signs of compromise to the bond integrity. Finally, we demonstrate the compatibility of our method with biological molecules using a proof-of-concept DNA sensing device, in which fluorescently-labelled DNA targets are successfully captured by a patterned probe in a device sealed using our method, while the pattern on a plasma-treated device was completely destroyed. Therefore, this method provides a much-needed alternative bonding process for incorporation of biological molecules in microfluidic devices. PMID:22858861

The combination of realistic laboratory simulations and infrared observations have revolutionized our understanding of interstellar dust and ice-the main component of comets. Since comets and carbonaceous micrometeorites may have been important sources of volatiles and carbon compounds on the early Earth, their organic composition may be related to the origin of life. Ices on grains in molecular clouds contain a variety of simple molecules. The D/H ratios of the comets Hale-Bopp and Hyakutake are consistent with a primarily interstellar ice mixture. Within the cloud and especially in the presolar nebula through the early solar system, these icy grains would have been photoprocessed by the ultraviolet producing more complex species such as hexamethylenetetramine, polyoxymethylenes, and simple keones. We reported at the 1999 Bioastronomy meeting laboratory simulations studied to identify the types of molecules which could have been generated in pre-cometary ices. Experiments were conducted by forming a realistic interstellar mixed-molecular ice (H2O, CH3OH, NH3 and CO) at approximately 10 K under high vacuum irradiated with UV light from a hydrogen plasma lamp. The gas mixture was typically 100:50:1:1, however when different ratios were used material with similar characteristics was still produced. The residue that remained after warming to room temperature was analyzed by HPLC, and by several mass spectrometric methods. This material contains a rich mixture of complex compounds with mass spectral profiles resembling those found in IDPs and meteorites. Surface tension measurements show that an amphiphilic component is also present. These species do not appear in various controls or in unphotolyzed samples. Residues from the simulations were also dispersed in aqueous media for microscopy. The organic material forms 10-40 gm diameter droplets that fluoresce at 300-450 nm under UV excitation. These droplets have a morphology and internal structure which appear

Self-assembled aggregates offer great potential for tuning the morphology of organic semiconductors, thereby controlling their size and shape. This is particularly interesting for applications in electroluminescent (EL) devices, but there has been, to date, no reports of a functional EL device in which the size and color of the emissive domains could be controlled using self-assembly. We now report a series of molecules that spontaneously self-organize into small EL domains of sub-micrometer dimensions. By tailoring the emissive chromophores in solution, spherical aggregates that have an average size of 300 nm in diameter and emit any one color, including CIE D65 white, are spontaneously formed in solution. We show that the individual aggregates can be used in EL devices built either using small patterned electrodes or using a sandwich architecture to produce devices emitting in the blue, green, red, and white. Furthermore, sequential deposition of the three primary colors yields an RGB device in which single aggregates of each color are present in close proximity. PMID:26730851

Organic electronics have become promising alternatives for the today's energy demand, owing to their low cost fabrication processes, ability to performance under low light, and flexibility. Solution processed small molecule (SM)- fullerene based solar cell devices have been subjected to number of studies recently with significant progress of power conversion efficiency (PCE). The bulk hetero junction (BHJ) consisting SM-fullerene blend is the most critical part of the solar cell device as nano-to-meso-scale morphology of BHJ plays a significant role in the device performances and properties. In this study we investigate the morphological structure of a device constructed from solution processed SM-molecule p - DTS(FBTTh2)2 with fullerene PC70BM BHJ blend using neutron reflectometry (NR). Here we present the scattering length density changes of PC70BM concentration along the film depth and the history dependence of the BHJ device by taking the measurements as-cast as thermally annealed (150 °C). This research was conducted at Spallation Neutron Source and at the Center for Nanophase Materials Sciences, which is sponsored at ORNL by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy.

Global warming issues and the medium-term depletion of fossil fuel reserves are stimulating researchers around the world to find alternative sources of energy and organic carbon. Biomass is considered by experts the only sustainable source of energy and organic carbon for our industrial society, and it has the potential to displace petroleum in the production of chemicals and liquid transportation fuels. However, the transition from a petroleum-based economy to one based on biomass requires new strategies since the petrochemical technologies, well-developed over the last century, are not valid to process the biomass-derived compounds. Unlike petroleum feedstocks, biomass derived platform molecules possess a high oxygen content that gives them low volatility, high solubility in water, high reactivity and low thermal stability, properties that favour the processing of these resources by catalytic aqueous-phase technologies at moderate temperatures. This tutorial review is aimed at providing a general overview of processes, technologies and challenges that lie ahead for a range of different aqueous-phase transformations of some of the key biomass-derived platform molecules into liquid fuels for the transportation sector and related high added value chemicals. PMID:21713268

Many varieties of molecule have been detected in the Milky Way and in other galaxies. The processes by which these molecules are formed and destroyed are now broadly understood (see INTERSTELLAR CHEMISTRY). These molecules are important components of galaxies in two ways. Firstly, radiation emitted by molecules enables us to trace the presence of diffuse gas, to infer its physical properties and ...

Nano/micro-manufacturing under wet condition is an important consideration for various tool-based processes such as indentation, scratching, and machining. The existence of liquids adds complexity to the system, changes the tool/work interfacial condition, and affects material behaviors. For indentation, it may also affect material property measurements. However, little effort has been made to study this challenging issue at nano- or atomistic scale. In this study, we tackle this challenge by investigating nano-indentation processes submerged in water using the molecular dynamics (MD) simulation approach. Compared with dry indentation in which no water molecules are present, the existence of water molecules causes the increase of indentation force in initial penetration, but the decrease of indentation force in full penetration. It also reduces the sticking phenomenon between the work and tool atoms during indenter retraction, such that the indentation geometry can be better retained. Meanwhile, nano-indentation under wet condition exhibits the indentation size effect, while dry nano-indentation exhibits the reverse indentation size effect. The existence of water leads to higher computed hardness values at low indentation loads and a smaller value of Young's modulus. In addition, the friction along the tool/work interface is significantly reduced under wet indentation. PMID:24044504

The rotational excitation of the title linear polyatomic target, treated as a rigid rotor is computed using a fully {ital ab initio} interaction potential recently employed to obtain integral elastic cross sections [Gianturco and Stoecklin, J. Phys. B {bold 29}, 3933 (1996)] and to unravel several resonances in the low-energy region. The present study looks at the rotationally inelastic processes which can occur in the energy range across the long-lived shape resonance at 3.9 eV and finds that the resonant process strongly enhances the overall efficiency of the rotational excitation by the electron projectile, as shown by the computed values of the average rotational energy transfers. Angular distributions are also evaluated at different collision energies and compared with earlier calculations. {copyright} {ital 1997} {ital The American Physical Society}

The study of autophagy is rapidly expanding, and our knowledge of the molecular mechanism and its connections to a wide range of physiological processes has increased substantially in the past decade. The vocabulary associated with autophagy has grown concomitantly. In fact, it is difficult for readers—even those who work in the field—to keep up with the ever-expanding terminology associated with the various autophagy-related processes. Accordingly, we have developed a comprehensive glossary of autophagy-related terms that is meant to provide a quick reference for researchers who need a brief reminder of the regulatory effects of transcription factors and chemical agents that induce or inhibit autophagy, the function of the autophagy-related proteins, and the roles of accessory components and structures that are associated with autophagy. PMID:21997368

A novel cyclometallated ligand 2-(4-(2‧-ethylhexyloxy)phenyl)-5-trifluoromethyl-pyridine (EHO-5CF3-ppy) was synthesized, and two solution-processable iridium complexes bis[2-(4-(2‧-ethylhexyloxy)phenyl)-5-trifluoromethylpyridinto-C3, N] iridium (acetylacetonate) (EHO-5CF3-ppy)2Ir(acac) (5) and bis[2-(4-(2‧-ethylhexyl-oxy)phenyl)-5-trifluoromethylpyridinto-C3, N] iridium (2-picolinic acid) (EHO-5CF3-ppy)2Ir(pic) (6) were afforded. Trifluoromethyl and dendritic ethylhexyloxy group were incorporated into iridium ligands to tune luminescent color, to reduce luminescence quenching and to improve the solution-processable property. Photoluminescent spectra of 5 and 6 in tetrahydrofuran peaked at around 540 and 523 nm. Electrophosphorescent devices were fabricated using 5 and 6 as dopant emitters (2%), which exhibited electroluminescent (EL) peaks at 536 and 524 nm, and current efficiencies of 10.4 and 16.7 cd/A, respectively. With the concentration of iridium complexes increasing to 8%, the main EL peak showed a 4 nm of red shift and a distinct shoulder peak occurred at 583 nm for 5 or 560 nm for 6, respectively. Maximum external quantum efficiencies of the devices at the concentration of 2% and 8% were 2.8% and 4.2% for 5, 4.7% and 4.8% for 6. These indicated that 5 and 6 were efficient solution-processable emitters.

A more complete understanding of the physically intrinsic mechanisms underlying protein mobility at cellular interfaces will provide additional insights into processes driving adhesion and organization in signalling junctions such as the immunological synapse. We observed diffusional slowing of structurally diverse binding proteins at synthetic interfaces formed by giant unilamellar vesicles (GUVs) on supported lipid bilayers (SLBs) that shows size dependence not accounted for by existing models. To model the effects of size and intermembrane spacing on interfacial reaction-diffusion processes, we describe a multistate diffusion model incorporating entropic effects of constrained binding. This can be merged with hydrodynamic theories of receptor-ligand diffusion and coupling to thermal membrane roughness. A novel synthetic membrane adhesion assay based on reversible and irreversible DNA-mediated interactions between GUVs and SLBs is used to precisely vary length, affinity, and flexibility, and also provides a platform to examine these effects on the dynamics of processes such as size-based segregation of binding and non-binding species.

We demonstrate herein the fabrication of small molecule-based OLEDs where four organic layers from the hole- to the electron-transporting layers have successively been deposited by using an all-solution process. The key feature of the device relies on a novel photopolymerizable red-emitting material, made of small fluorophores substituted with two acrylate units, and displaying high-quality film-forming properties as well as high emission quantum yield as nondoped thin films. Insoluble emissive layers were obtained upon UV irradiation using low illumination doses, with no further need of postcuring. Very low photodegradation was noticed, giving rise to bright layers with a remarkable surface quality, characterized by a mean RMS roughness as low as 0.7 nm after development. Comparative experiments between solution-processed OLEDs and vacuum-processed OLEDs made of fluorophores with close architectures show external quantum efficiencies in the same range while displaying distinct behaviors in terms of current and power efficiencies. They validate the proof of concept of nondoped solution-processable emissive layers exclusively made of photopolymerized fluorophores, thereby reducing the amount of components and opening the way toward cost-effective fabrication of solution-processed OLED multilayer architectures. PMID:27280695

The Regulatory Agenda is a semiannual compilation of all rules on which the NRC has recently completed action, or has proposed action, or is considering action, and of all petitions for rulemaking that the NRC has received that are pending disposition.

... 13 Business Credit and Assistance 1 2010-01-01 2010-01-01 false Semi-annual compilation. 146.600 Section 146.600 Business Credit and Assistance SMALL BUSINESS ADMINISTRATION NEW RESTRICTIONS ON LOBBYING.... (c) Information that involves intelligence matters shall be reported only to the Select Committee...

This semiannual report to Congress by the Office of Inspector General (OIG), U.S. Department of Education, covers the actions of the OIG from October 1, 2002, through March 31, 2003. The report discusses four goals of the President's Management Agenda: (1) improved financial performance: includes information on financial statement audits,…

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... 45 Public Welfare 3 2013-10-01 2013-10-01 false Semi-annual compilation. 1168.600 Section 1168.600 Public Welfare Regulations Relating to Public Welfare (Continued) NATIONAL FOUNDATION ON THE ARTS AND THE HUMANITIES NATIONAL ENDOWMENT FOR THE HUMANITIES NEW RESTRICTIONS ON LOBBYING Agency Reports § 1168.600...

... 13 Business Credit and Assistance 1 2014-01-01 2014-01-01 false Semi-annual compilation. 146.600 Section 146.600 Business Credit and Assistance SMALL BUSINESS ADMINISTRATION NEW RESTRICTIONS ON LOBBYING.... (c) Information that involves intelligence matters shall be reported only to the Select Committee...

... 13 Business Credit and Assistance 1 2012-01-01 2012-01-01 false Semi-annual compilation. 146.600 Section 146.600 Business Credit and Assistance SMALL BUSINESS ADMINISTRATION NEW RESTRICTIONS ON LOBBYING.... (c) Information that involves intelligence matters shall be reported only to the Select Committee...

... 13 Business Credit and Assistance 1 2013-01-01 2013-01-01 false Semi-annual compilation. 146.600 Section 146.600 Business Credit and Assistance SMALL BUSINESS ADMINISTRATION NEW RESTRICTIONS ON LOBBYING.... (c) Information that involves intelligence matters shall be reported only to the Select Committee...

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The semiannual variation in geomagnetic activity is generally attributed to the Russell-McPherron effect. In that picture, enhancements of southward field Bs near the equinoxes account for the observed higher geomagnetic activity in March and September. In a contrary point of view, we argue that the bulk of the semiannual variation results from an equinoctial effect (based on the ψ angle between the solar wind flow direction and Earth's dipole axis) that makes Bs coupling less effective (by ~25% on average) at the solstices. Thus the semiannual variation is not simply due to ``mountain building'' (creation of Bs) at the equinoxes but results primarily from ``valley digging'' (loss of coupling efficiency) at the solstices. We estimate that this latter effect, which clearly reveals itself in the diurnal variation of the am index, is responsible for ~65% of the semiannual modulation. The characteristic imprint of the equinoctial hypothesis is also apparent in hourly/monthly averages of the time-differential Dst index and the AE index.

New agents are urgently needed for the therapeutic treatment of Staphylococcus aureus infections. In that regard, S. aureus RNase RnpA may represent a promising novel dual-function antimicrobial target that participates in two essential cellular processes, RNA degradation and tRNA maturation. Accordingly, we previously used a high-throughput screen to identify small-molecule inhibitors of the RNA-degrading activity of the enzyme and showed that the RnpA inhibitor RNPA1000 is an attractive antimicrobial development candidate. In this study, we used a series of in vitro and cellular assays to characterize a second RnpA inhibitor, RNPA2000, which was identified in our initial screening campaign and is structurally distinct from RNPA1000. In doing so, it was found that S. aureus RnpA does indeed participate in 5′-precursor tRNA processing, as was previously hypothesized. Further, we show that RNPA2000 is a bactericidal agent that inhibits both RnpA-associated RNA degradation and tRNA maturation activities both in vitro and within S. aureus. The compound appears to display specificity for RnpA, as it did not significantly affect the in vitro activities of unrelated bacterial or eukaryotic ribonucleases and did not display measurable human cytotoxicity. Finally, we show that RNPA2000 exhibits antimicrobial activity and inhibits tRNA processing in efflux-deficient Gram-negative pathogens. Taken together, these data support the targeting of RnpA for antimicrobial development purposes, establish that small-molecule inhibitors of both of the functions of the enzyme can be identified, and lend evidence that RnpA inhibitors may have broad-spectrum antimicrobial activities. PMID:25605356

Research funded by this project focused on the development of improved strategies for functionalization of metal oxides to enhance charge-transfer processes relevant to solar energy conversion. Initial studies included Fe2O3, WO3, TiO2, SnO2, and ZnO as model oxide systems; these systems were chosen due to differences in metal oxidation state and chemical bonding types in these oxides. Later studies focused largely on SnO2 and ZnO, as these materials show particularly promising surface chemistry, have high electron mobility, and can be readily grown in both spherical nanoparticles and as elongated nanorods. New molecules were synthesized that allowed the direct chemical assembly of novel nanoparticle ?dyadic? structures in which two different oxide materials are chemically joined, leading to an interface that enhances the separation of of charge upon illumination. We demonstrated that such junctions enhance photocatalytic efficiency using model organic compounds. A separate effort focused on novel approaches to linking dye molecules to SnO2 and ZnO as a way to enhance solar conversion efficiency. A novel type of surface binding through

Nitric oxide (NO) is a highly reactive gas with considerable diffusion power that is produced pre- and post synaptically in the central nervous system (CNS). In the visual system, it is involved in the processing of the visual information from the retina to superior visual centers. In this review we discuss the main mechanisms through which nitric oxide acts, in physiological levels, on the retina, lateral geniculate nucleus (LGN) and primary visual cortex. In the retina, the cGMP-dependent nitric oxide activity initially amplifies the signal, subsequently increasing the inhibitory activity, suggesting that the signal is "filtered". In the thalamus, on dLGN, neuronal activity is amplified by NO derived from brainstem cholinergic cells, in a cGMP-independent mechanism; the result is the amplification of the signal arriving from retina. Finally, on the visual cortex (V1), NO acts through changes on the cGMP levels, increasing signal detection. These observations suggest that NO works like a filter, modulating the signal along the visual pathways. PMID:24275015

A strategy for generating diverse collections of small molecules has been developed that features a multicomponent assembly process (MCAP) to efficiently construct a variety of intermediates possessing an aryl aminomethyl subunit. These key compounds are then transformed via selective ring-forming reactions into heterocyclic scaffolds, each of which possesses suitable functional handles for further derivatizations and palladium-catalyzed cross coupling reactions. The modular nature of this approach enables the facile construction of libraries of polycyclic compounds bearing a broad range of substituents and substitution patterns for biological evaluation. Screening of several compound libraries thus produced has revealed a large subset of compounds that exhibit a broad spectrum of medicinally-relevant activities. PMID:25135846

Summary Two novel triads based on a diketopyrrolopyrrole (DPP) central core and two 4,4-difluoro-4-bora-3a,4a-diaza-s-indacene (BODIPY) units attached by thiophene rings have been synthesised having high molar extinction coefficients. These triads were characterised and used as donor materials in small molecule, solution processable organic solar cells. Both triads were blended with PC71BM as an acceptor in different ratios by wt % and their photovoltaic properties were studied. For both the triads a modest photovoltaic performance was observed, having an efficiency of 0.65%. Moreover, in order to understand the ground and excited state properties and vertical absorption profile of DPP and BODIPY units within the triads, theoretical DFT and TDDFT calculations were performed. PMID:25550732

A case study has been developed to illustrate one way of incorporating a Quality by Design approach into formulation and process development for a small molecule, freeze-dried parenteral product. Sodium ethacrynate was chosen as the model compound. Principal degradation products of sodium ethacrynate result from hydrolysis of the unsaturated ketone in aqueous solution, and dimer formation from a Diels-Alder condensation in the freeze-dried solid state. When the drug crystallizes in a frozen solution, the eutectic melting temperature is above -5°C. Crystallization in the frozen system is affected by pH in the range of pH 6-8 and buffer concentration in the range of 5-50 mM, where higher pH and lower buffer concentration favor crystallization. Physical state of the drug is critical to solid state stability, given the relative instability of amorphous drug. Stability was shown to vary considerably over the ranges of pH and buffer concentration examined, and vial-to-vial variability in degree of crystallinity is a potential concern. The formulation design space was constructed in terms of pH and drug concentration, and assuming a constant 5 mM concentration of buffer. The process design space is constructed to take into account limitations on the process imposed by the product and by equipment capability. PMID:21932931

This is the second issue of a semiannual report for the Isotope Separation and Advanced Manufacturing (ISAM) Technology Program at Lawrence Livermore National Laboratory. Primary objectives of the ISAM Program include: the Uranium Atomic Vapor Laser Isotope Separation (U-AVLIS) process, and advanced manufacturing technologies which include industrial laser materials processing and new manufacturing technologies for uranium, plutonium, and other strategically important materials in support of DOE and other national applications. Topics included in this issue are: production plant product system conceptual design, development and operation of a solid-state switch for thyratron replacement, high-performance optical components for high average power laser systems, use of diode laser absorption spectroscopy for control of uranium vaporization rates, a two-dimensional time dependent hydrodynamical ion extraction model, and design of a formaldehyde photodissociation process for carbon and oxygen isotope separation.

Electron-deficient π-conjugated small molecules can function as electron-transporting semiconductors in various optoelectronic applications. Despite their unique structural, optical, and electronic properties, the development of BODIPY-based organic semiconductors has lagged behind that of other π-deficient units. Here, we report the design and synthesis of two novel solution-proccessable BODIPY-based small molecules (BDY-3T-BDY and BDY-4T-BDY) for organic thin-film transistors (OTFTs). The new semiconductors were fully characterized by (1)H/(13)C NMR, mass spectrometry, cyclic voltammetry, UV-vis spectroscopy, photoluminescence, differential scanning calorimetry, and thermogravimetric analysis. The single-crystal X-ray diffraction (XRD) characterization of a key intermediate reveals crucial structural properties. Solution-sheared top-contact/bottom-gate OTFTs exhibited electron mobilities up to 0.01 cm(2)/V·s and current on/off ratios of >10(8). Film microstructural and morphological characterizations indicate the formation of relatively long (∼0.1 mm) and micrometer-sized (1-2 μm) crystalline fibers for BDY-4T-BDY-based films along the shearing direction. Fiber-alignment-induced charge-transport anisotropy (μ∥/μ⊥ ≈ 10) was observed, and higher mobilities were achieved when the microfibers were aligned along the conduction channel, which allows for efficient long-range charge-transport between source and drain electrodes. These OTFT performances are the highest reported to date for a BODIPY-based molecular semiconductor, and demonstrate that BODIPY is a promising building block for enabling solution-processed, electron-transporting semiconductor films. PMID:27182606

Two solution-processable small organic molecules, (E)-6,6'-bis(4-(diphenylamino)phenyl)-1,1'-bis(2-ethylhexyl)-(3,3'-biindolinylidene)-2,2'-dione (coded as S10) and (E)-6,6'-di(9H-carbazol-9-yl)-1,1'-bis(2-ethylhexyl)-(3,3'-biindolinylidene)-2,2'-dione (coded as S11) were successfully designed, synthesized and fully characterized. S10 and S11 are based on a donor-acceptor-donor structural motif and contain a common electron accepting moiety, isoindigo, along with different electron donating functionalities, triphenylamine and carbazole, respectively. Ultraviolet-visible absorption spectra revealed that the use of triphenylamine donor functionality resulted in an enhanced intramolecular charge transfer transition and reduction of optical band gap, when compared with its carbazole analogue. Both of these materials were designed to be donor semiconducting components, exerted excellent solubility in common organic solvents, showed excellent thermal stability, and their promising optoelectronic properties encouraged us to scrutinize charge-carrier mobilities using solution-processable organic field effect transistors. Hole mobilities of the order of 2.2 × 10(-4) cm²/Vs and 7.8 × 10(-3) cm²/Vs were measured using S10 and S11 as active materials, respectively. PMID:26393566

The neutral mass spectrometer on the Lunar Atmosphere and Dust Environment Explorer (LADEE) spacecraft collected a trove of exospheric data, including a set of high-quality measurements of radiogenic 40Ar over a period of 142 days. Data synthesis studies, using well-established exosphere simulation tools, show that the LADEE argon data are consistent with an exosphere-regolith interaction that is dominated by adsorption and that the desorption process generates the Armand distribution of exit velocities. The synthesis work has uncovered an apparent semiannual oscillation of argon that is consistent with temporal sequestration in the seasonal cold traps created at the poles by the obliquity of the Moon. In addition, the LADEE data provide new insight into the pristine nature of lunar regolith, its spatially varying sorption properties, and the influence of sorption processes on the synodic oscillation of the argon exosphere.

The identity of the carrier molecules of the Diffuse Interstellar Bands (DIBs) is the most durable mystery of spectroscopic astronomy. The DIBs comprise over 400 mostly broad, weak absorption features observed along many lines of sight throughout the Milky Way. Though large Polycyclic Aromatic Hydrocarbons (PAHs) are suspected to be the source of the DIBs, no definitive matches have yet been made to laboratory PAH spectra. The Diffuse Interstellar Band Synchrotron Radiation Carrier Hunt (DIBSyRCH) experiment has been built at the Synchrotron Radiation Center (SRC) to test this hypothesis by conducting a spectroscopic survey of a broad range of low-temperature, gas phase PAH molecules and ions. The key elements of this experiment are the synchrotron radiation continuum from the SRC White Light beamline, a custom echelle spectrograph and the Cryogenic Circulating Advective Multi-Pass (CCAMP) absorption cell. The development and results of this experiment are described in detail. Recent abundance determinations of heavy n(eutron)-capture elements in very old, very metal-poor Galactic halostars have yielded new insights on the roles of the r(apid)- and s(low)-processes in the initial burst of Galactic nucleosynthesis. The Rare Earth (RE) elements are an important part of such efforts. The results of this ongoing work are reshaping our understanding of the chemical evolution of the Galaxy. Absolute atomic transition probabilities are necessary for quantitative spectroscopy in astronomy and applied fields such as lighting. I performed lifetime measurements, accurate to +/-5%, for 8 even parity and 72 odd parity levels of singly ionized erbium. These radiative lifetimes were used to determine absolute transition probabilities for 418 lines of Er II, enabling new Er abundance measurements for the sun and 5 r-process rich, metal poor stars. I performed absorption experiments using synchrotron radiation to assess the impact of possible unobserved infrared branches on

An important issue that should be taken into consideration when applying the molecules in photodynamic therapy (PDT) of cancer is the occurrence of homo-resonance energy transfer process between them. We have determined the probability of energy transfer for sodium zinc (II)-2,9,16,23-phthalocyanine tetracarboxylate (ZnPc(COONa)4) molecules in aqueous NaOH solution. The homo-quenching effect of the molecule was also measured by calculating the diffusion controlled bimolecular rate constant of k q = 6.5 × 10(9) M(-1)s(-1), which did not show a significant competition with the rate constant of homo-resonance energy transfer process at the applied concentration of the molecules (6 μM). The Förster radius (R 0) for ZnPc(COONa)4 molecules was calculated to be 42 Å. The availability of these calculations should facilitate the potential application of ZnPc(COONa)4 molecule as an anticancer drug in PDT. PMID:27008342

The purpose of this study is to understand the influence of the yarn processing on the migration of additives molecules, especially insecticide, within polyethylene (PE) yarns. Yarns were manufactured in the laboratory focusing on three key-steps (spinning, post-stretching and heat-setting). Influence of each step on yarn properties was investigated using tensile tests, differential scanning calorimetry and wide-angle X-ray diffraction. The post-stretching step was proved to be critical in defining yarn mechanical and structural properties. Although a first orientation of polyethylene crystals was induced during spinning, the optimal orientation was only reached by post-stretching. The results also showed that the heat-setting did not significantly change these properties. The presence of additives crystals at the yarn surface was evidenced by scanning-electron microscopy. These studies performed at each yarn production step allowed a detailed analysis of the additives’ ability to migrate. It is concluded that while post-stretching decreased the migration rate, heat-setting seems to boost this migration.

We report two acetylene-bridged small molecules DPP5 and DPP6 with low HOMO-LUMO gaps as donors along with PC71BM as an acceptor for the fabrication of solution-processed bulk heterojunction solar cells. After the optimization, i.e. weight ratio of donor to acceptor and surface treatment of the active layer, we achieved overall power conversion efficiencies up to 4.65% (Jsc = 8.19 mA cm(-2), Voc = 0.98 V and FF = 0.58) and 5.73% (Jsc = 9.58 mA cm(-2), Voc = 0.98 V and FF = 0.61), for DPP5:PC71BM and DPP6:PC71BM respectively, which are superior to those for the devices based on as-cast active layers. The significant change in the power conversion efficiency is attributed to the improvement in nanoscale morphology, balanced charge transport and charge collection efficiency, induced through the surface treatment. PMID:27489031

The purpose of this study is to understand the influence of the yarn processing on the migration of additives molecules, especially insecticide, within polyethylene (PE) yarns. Yarns were manufactured in the laboratory focusing on three key-steps (spinning, post-stretching and heat-setting). Influence of each step on yarn properties was investigated using tensile tests, differential scanning calorimetry and wide-angle X-ray diffraction. The post-stretching step was proved to be critical in defining yarn mechanical and structural properties. Although a first orientation of polyethylene crystals was induced during spinning, the optimal orientation was only reached by post-stretching. The results also showed that the heat-setting did not significantly change these properties. The presence of additives crystals at the yarn surface was evidenced by scanning-electron microscopy. These studies performed at each yarn production step allowed a detailed analysis of the additives' ability to migrate. It is concluded that while post-stretching decreased the migration rate, heat-setting seems to boost this migration.

... 40 Protection of Environment 6 2011-07-01 2011-07-01 false If a semiannual report is required, when must I submit it? 60.1420 Section 60.1420 Protection of Environment ENVIRONMENTAL PROTECTION... § 60.1420 If a semiannual report is required, when must I submit it? (a) For data collected during...

This report summarizes the broad range of activities supported by Federal Energy Management Program (FEMP) and other federal agencies focused on meeting the President`s Executive Order on Federal Energy Management promulgated to meet energy savings goals and encourage more efficient management of all federal energy resources. These activities are reported semiannually under the auspices of the FERM Coordinating Committee, and as such include activities undertaken from October 1, 1991, through March 31, 1992. The activities reported are classified into four major categories: (1) technology-base support, which includes development of processes, software, metering and monitoring equipment and strategies, and other tools for the federal energy manager to better understand and characterize their energy resources; (2) federal energy systems testing and monitoring; (3) federal energy systems modernization projects at federal installations in cooperation with the utilities serving the sites; and (4) energy supply, distribution and end-use conservation assessment for federal agencies and/or facilities.

Semiclassical calculations are carried out for the quenching of excited-state fluorine atom by collinear collisions with hydrogen molecule. The overall quenching probability is the sum of two contributions: the reactive quenching probability associated with the formation of hydrogen fluoride and the nonreactive quenching probability leading to ground-state fluorine atom and hydrogen molecule. The reactive probability is greater in the threshold region of the collision energy, whereas the nonreactive probability dominates for energies above the threshold region.

The detection of cell cycle proteins in Alzheimer’s disease (AD) brains may represent an early event leading to neurodegeneration. To identify cell cycle modifiers with anti-Aβ properties, we assessed the effect of Differentiation-Inducing Factor-1 (DIF-1), a unique, small-molecule from Dictyostelium discoideum, on the proteolysis of the amyloid β-protein precursor (APP) in a variety of different cell types. We show that DIF-1 slows cell cycle progression through G0/G1 that correlates with a reduction in cyclin D1 protein levels. Western blot analysis of DIF-treated cells and conditioned medium revealed decreases in the levels of secreted APP, mature APP, and C-terminal fragments. Assessment of conditioned media by sandwich ELISA showed reduced levels of Aβ40 and Aβ42, also demonstrating that treatment with DIF-1 effectively decreases the ratio of Aβ42 to Aβ40. In addition, DIF-1 significantly diminished APP phosphorylation at residue T668. Interestingly, site-directed mutagenesis of APP residue Thr668 to alanine or glutamic acid abolished the effect of DIF-1 on APP proteolysis and restored secreted levels of Aβ. Finally, DIF-1 prevented the accumulation of APP C-terminal fragments induced by the proteasome inhibitor lactacystin, and calpain inhibitor N-acetyl-leucyl-leucyl-norleucinal (ALLN). Our findings suggest that DIF-1 affects G0/G1-associated amyloidogenic processing of APP by a γ-secretase-, proteasome- and calpain-insensitive pathway, and that this effect requires the presence of residue Thr668. PMID:19154786

The detection of cell cycle proteins in Alzheimer's disease (AD) brains may represent an early event leading to neurodegeneration. To identify cell cycle modifiers with anti-Abeta properties, we assessed the effect of Differentiation-Inducing Factor-1 (DIF-1), a unique, small-molecule from Dictyostelium discoideum, on the proteolysis of the amyloid beta-protein precursor (APP) in a variety of different cell types. We show that DIF-1 slows cell cycle progression through G0/G1 that correlates with a reduction in cyclin D1 protein levels. Western blot analysis of DIF-treated cells and conditioned medium revealed decreases in the levels of secreted APP, mature APP, and C-terminal fragments. Assessment of conditioned media by sandwich ELISA showed reduced levels of Abeta40 and Abeta42, also demonstrating that treatment with DIF-1 effectively decreases the ratio of Abeta42 to Abeta40. In addition, DIF-1 significantly diminished APP phosphorylation at residue T668. Interestingly, site-directed mutagenesis of APP residue Thr668 to alanine or glutamic acid abolished the effect of DIF-1 on APP proteolysis and restored secreted levels of Abeta. Finally, DIF-1 prevented the accumulation of APP C-terminal fragments induced by the proteasome inhibitor lactacystin, and calpain inhibitor N-acetyl-leucyl-leucyl-norleucinal (ALLN). Our findings suggest that DIF-1 affects G0/G1-associated amyloidogenic processing of APP by a gamma-secretase-, proteasome- and calpain-insensitive pathway, and that this effect requires the presence of residue Thr668. PMID:19154786

Using the projector-augmented plane wave method, we study diffusion and dissociation processes of C2H2 molecules on the ferromagnetic bcc-Fe(110) surface and investigate the formation process of graphene created by C2H2 molecules. The most stable site for C2H2 on the Fe surface is a hollow site and its adsorption energy is - 3.5 eV. In order to study the diffusion process of the C2H2 molecule, the barrier height energies for the C atom, C2-dimer and CH as well as the C2H2 molecule are estimated using the nudged elastic band method. The barrier height energy for C2H2 is 0.71 eV and this indicates that the C2H2 diffuses easily on this FM bcc-Fe(110) surface. We further investigate the two step dissociation process of C2H2 on Fe. The first step is the dissociation of C2H2 into C2H and H, and the second step is that of C2H into C2 and H. Their dissociation energies are 0.9 and 1.2 eV, respectively. These energies are relatively small compared to the dissociation energy 7.5 eV of C2H2 into C2H and H in the vacuum. Thus, the Fe surface shows catalytic effects. We further investigate the initial formation process of graphene by increasing the coverage of C2H2. The formation process of the benzene molecule on the FM bcc(110) surface is also discussed. We find that there exists a critical coverage of C2H2 which characterizes the beginning of the formation of the graphene.

The fluorescence and phosphorescence of dyes in thin polymethylmethacrylate (PMMA) films in the presence of ablated silver nanoparticles has been investigated in a wide temperature range by methods of femtosecond and picosecond laser photoexcitation. The fluorescence and phosphorescence times, as well as spectral and kinetic characteristics of rhodamine 6G (R6G) molecules in PMMA films are measured in a temperature range of 80 - 330 K. The temperature quenching activation energy of the fluorescence of R6G molecules in the presence of ablated silver nanoparticles is found. The vibrational relaxation rate of R6G in PMMA films is estimated, the efficiency of the dipole - dipole electron energy transfer between R6G and brilliant green molecules (enhanced by plasmonic interaction with ablated silver nanoparticles) is analysed, and the constants of this energy transfer are determined.

A method, apparatus, and system for constructing uniform macroscopic films with tailored geometric assemblies of molecules on the nanometer scale. The method, apparatus, and system include providing starting molecules of selected character, applying one or more force fields to the molecules to cause them to order and condense with NMR spectra and images being used to monitor progress in creating the desired geometrical assembly and functionality of molecules that comprise the films.

A solution-processed acceptor-π-donor-π-acceptor (A-π-D-π-A) type small molecule, namely DCATT, has been designed and synthesized for the application as donor material in organic solar cells. The fused aromatic unit thieno[3,2-b]thiophene (TT) flanked with thiophene is applied as π bridge, while 4,8-bisthienyl substituted benzodithiophene (BDT) and 2-ethylhexyl cyanoacetate are chosen as the central building block and end group, respectively. Introduction of fused ring to the small molecule enhances the conjugation length of the main chain, and gives a strong tendency to form π-π stacking with a large overlapping area which favors to high charge carrier transport. Small-molecule organic solar cells based on blends of DCATT and fullerene acceptor exhibit power conversion efficiencies as high as 5.20 % under the illumination of AM 1.5G, 100 mW cm(-2) . PMID:26097019

A series of acceptor-donor-acceptor-based small molecules (SMs) with varied crystallinity were successfully synthesized. The processing additive can induce the SMs to self-organize as nanofibrils with higher crystallinity and controlled scales of nanofibrils, which have significant influence on the photovoltaic performance.A series of acceptor-donor-acceptor-based small molecules (SMs) with varied crystallinity were successfully synthesized. The processing additive can induce the SMs to self-organize as nanofibrils with higher crystallinity and controlled scales of nanofibrils, which have significant influence on the photovoltaic performance. Electronic supplementary information (ESI) available: Synthetic process and characterizations of SMs; TGA, electrochemical properties, molecular orbital surfaces of SMs; AFM images of SM:PC71BM blend films; EQE curves; optical, electrochemical properties and photovoltaic parameters. See DOI: 10.1039/c3nr03048b

Satellite altimetric sea surface height (SSH) measurements from 1992 through 2010 are used to explore the oceanic semiannual variations in the Philippine Sea (PS). Pronounced semiannual SSH variations are detected within two zonal bands. One lies east of Luzon Strait (19°-22°N) in the northern PS, while the other is southeast of Mindanao coast (4°-7°N) in the southern PS. In the two near-coast boxes where semiannual harmonic amplitude exceeds 4 cm, the northern box (127°-133°E, 19°-22°N) and the southern box (127°-133°E, 4°-7°N), semiannual changes contribute considerably to the total annual SSH variance by 12% and 17%, respectively. Despite prominent SSH variability, the bifurcation latitude of the North Equatorial Current (NBL) exhibits weak fluctuations with a peak-to-peak difference of only 0.3° on semiannual time scale. While the in-phase annual SSH variations between the two boxes work together to enhance annual NBL changes, their out-of-phase semiannual SSH variations offset each other in driving the NBL displacements. Further analysis with a 11/2-layer reduced-gravity model forced by ECMWF wind stress reveals that the observed semiannual SSH variations are primarily driven by local wind forcing in the far western Pacific. Rossby wave signals propagating from the eastern/central Pacific contribute much less due to along-path dispersion and cancellation. Semiannual signals of wind field in the northern PS reflect mainly the semiannual changes of the Asian Monsoon system, while those in the southern PS arise from the combined effects of Monsoon transition and the annual migration of the intertropical convergence zone (ITCZ).

Herein, benzothiadiazole (BTD), as an acceptor A1, has been used as a backbone to link triphenylamine (TPA) as donor and naphthalimide (NPI) as acceptor (A2) moieties through ethylene linkers to design a small molecule. The donor-π-acceptor-π-acceptor (D-π-A1-π-A2) type small molecule denoted as was synthesized. In order to use it as an electron donor for solution processed bulk heterojunction small molecule solar cells its photonic and electronic properties were explored. The small molecule organic solar cells based on the optimized blend of with PC71BM processed in chloroform showed a power conversion efficiency (PCE) of 2.21%, which was significantly improved up to 6.67%, when a two-step annealing (TSA) treated blend was used as an active layer. The increase in the PCE was due to the enhancement in both Jsc and FF. The improvement in Jsc was related to the enhancement in the light harvesting efficiency of a TSA treated active layer relative to the as-cast layer, which is reflected in a better IPCE and better charge collection. The TSA treatment also leads to better nanoscale morphology for exciton dissociation into free charge carriers and improved crystallinity for balanced charge transport. PMID:27149659

Recent technical advances have made it possible to visualize single molecules inside live cells. Microscopes with single-molecule sensitivity enable the imaging of low-abundance proteins, allowing for a quantitative characterization of molecular properties. Such data sets contain information on a wide spectrum of important molecular properties, with different aspects highlighted in different imaging strategies. The time-lapsed acquisition of images provides information on protein dynamics over long time scales, giving insight into expression dynamics and localization properties. Rapid burst imaging reveals properties of individual molecules in real-time, informing on their diffusion characteristics, binding dynamics and stoichiometries within complexes. This richness of information, however, adds significant complexity to analysis protocols. In general, large datasets of images must be collected and processed in order to produce statistically robust results and identify rare events. More importantly, as live-cell single-molecule measurements remain on the cutting edge of imaging, few protocols for analysis have been established and thus analysis strategies often need to be explored for each individual scenario. Existing analysis packages are geared towards either single-cell imaging data or in vitro single-molecule data and typically operate with highly specific algorithms developed for particular situations. Our tool, iSBatch, instead allows users to exploit the inherent flexibility of the popular open-source package ImageJ, providing a hierarchical framework in which existing plugins or custom macros may be executed over entire datasets or portions thereof. This strategy affords users freedom to explore new analysis protocols within large imaging datasets, while maintaining hierarchical relationships between experiments, samples, fields of view, cells, and individual molecules. PMID:26198886

End groups in small-molecule photovoltaic materials are important owing to their strong influence on molecular stability, solubility, energy levels, and aggregation behaviors. In this work, a series of donor-acceptor pentads (D2 -A-D1 -A-D2 ) were designed and synthesized, aiming to investigate the effect of the end groups on the materials properties and photovoltaic device performance. These molecules share identical central A-D1 -A triads (with benzodithiophene as D1 and 6-carbonyl-thieno[3,4-b]thiophene as A), but with various D2 end groups composed of alkyl-substituted thiophene (T), thieno[3,2-b]thiophene (TT), and 2,2'-bithiophene (BT). The results indicate a relationship between conjugated segment/alkyl chain length of the end groups and the photovoltaic performance, which contributes to the evolving molecular design principles for high efficiency organic solar cells. PMID:27008919

A model is proposed in which latitudinal variations in composition and temperature are used to interpret the semiannual effect in the thermospheric density. Two heat sources are postulated for the semiannual circulation: one at high latitudes associated with the semiannual component in the occurance of magnetic storms and a second weaker one that peaks at the equator associated with the semiannual migration between both hemispheres. Depending on the relative magnitude of these sources, the latitude regions in which composition and temperature effects dominate vary. The temperature effects however should be expected weakest at low to mid latitudes where the relative concentration of atomic oxygen is enriched during equinox. At high latitudes the semiannual temperature component would peak, associated with an oxygen depletion in the lower thermosphere during equinox. In combining these features it is shown that the total atmospheric density could still exhibit a relatively small latitude dependence in the semiannual component with the tendency to decrease at high latitudes, in agreement with observations.

Presents an activity in which models help students visualize both the DNA process and transcription. After constructing DNA, RNA messenger, and RNA transfer molecules; students model cells, protein synthesis, codons, and RNA movement. (MDH)

The proteasome is responsible for the breakdown of cellular proteins. Proteins targeted for degradation are allowed inside the proteasome particle, where they are cleaved into small peptides and released in the cytosol to be degraded into amino acids. In vertebrates, some of these peptides escape degradation in the cytosol, are loaded onto class I molecules of the major histocompatibility complex (MHC) and displayed at the cell surface for scrutiny by the immune system. The proteasome therefore plays a key role for the immune system: it provides a continued sampling of intracellular proteins, so that CD8-positive T-lymphocytes can kill cells expressing viral or tumoral proteins. Consequently, the repertoire of peptides displayed by MHC class I molecules at the cell surface depends on proteasome activity, which may vary according to the presence of proteasome subtypes and regulators. Besides standard proteasomes, cells may contain immunoproteasomes, intermediate proteasomes and thymoproteasomes. Cells may also contain regulators of proteasome activity, such as the 19S, PA28 and PA200 regulators. Here, we review the effects of these proteasome subtypes and regulators on the production of antigenic peptides. We also discuss an unexpected function of the proteasome discovered through the study of antigenic peptides: its ability to splice peptides. PMID:25412285

We present a novel top-electrode spray-coating process for the solution-based deposition of silver nanowires (AgNWs) onto vacuum-processed small molecule organic electronic solar cells. The process is compatible with organic light emitting diodes (OLEDs) and organic light emitting thin film transistors (OLETs) as well. By modifying commonly synthesized AgNWs with a perfluorinated methacrylate, we are able to disperse these wires in a highly fluorinated solvent. This solvent does not dissolve most organic materials, enabling a top spray-coating process for sensitive small molecule and polymer-based devices. The optimized preparation of the novel AgNW dispersion and spray-coating at only 30 °C leads to high performance electrodes directly after the deposition, exhibiting a sheet resistance of 10.0 Ω □(-1) at 87.4% transparency (80.0% with substrate). By spraying our novel AgNW dispersion in air onto the vacuum-processed organic p-i-n type solar cells, we obtain working solar cells with a power conversion efficiency (PCE) of 1.23%, compared to the air exposed reference devices employing thermally evaporated thin metal layers as the top-electrode. PMID:25584968

The molecular state of hen egg white lysozyme in solution has been studied by small-angle X-ray scattering (SAXS) combined with molecular simulation. The addition of a precipitant is shown to change the state of the protein molecules in solution. The SAXS data were processed using the constructed models of different oligomers. Under the crystallization conditions, lysozyme is shown to be present in solution as monomers (96.0%), dimers (1.9%), and octamers (2.1%), whereas tetramers and hexamers are not found. The modeled structure of the octamer is not consistent with the commonly accepted unit cell containing eight lysozyme molecules. Meanwhile, the modeled octamers are well-fitted to the crystal structure and can serve as building blocks in the course of crystal growth.

...This agenda provides summary descriptions of regulations being developed by the Civilian Agency Acquisition Council and the Defense Acquisition Regulations Council in compliance with Executive Order 12866 ``Regulatory Planning and Review.'' This agenda is being published to allow interested persons an opportunity to participate in the rulemaking process. The Regulatory Secretariat Division has......

Thin potassium films grown on Si(001) substrates are used to measure internal chemicurrents and the external emission of exoelectrons simultaneously during adsorption of molecular oxygen on K surfaces at 120 K. The experiments clarify the dynamics of electronic excitations at a simple metal with a narrow valence band. X-ray photoemission reveals that for exposures below 5 L almost exclusively peroxide K2O2 is formed, i.e., no dissociation of the molecule occurs during interaction. Still a significant chemicurrent and a delayed exoelectron emission are detected due to a rapid injection of unoccupied molecular levels below the Fermi level. Since the valence band width of potassium is approximately equal to the potassium work function (2.4 eV) the underlying mechanism of exoemission is an Auger relaxation whereas chemicurrents are detected after resonant charge transfer from the metal valence band into the injected level. The change of the chemicurrent and exoemission efficiencies with oxygen coverage can be deduced from the kinetics of the reaction and the recorded internal and external emission currents traces. It is shown that the non-adiabaticity of the reaction increases with coverage due to a reduction of the electronic density of states at the surface while the work function does not vary significantly. Therefore, the peroxide formation is one of the first reaction systems which exhibits varying non-adiabaticity and efficiencies during the reaction. Non-adiabatic calculations based on model Hamiltonians and density functional theory support the picture of chemicurrent generation and explain the rapid injection of hot hole states by an intramolecular motion, i.e., the expansion of the oxygen molecule on the timescale of a quarter of a vibrational period.

Thin potassium films grown on Si(001) substrates are used to measure internal chemicurrents and the external emission of exoelectrons simultaneously during adsorption of molecular oxygen on K surfaces at 120 K. The experiments clarify the dynamics of electronic excitations at a simple metal with a narrow valence band. X-ray photoemission reveals that for exposures below 5 L almost exclusively peroxide K2O2 is formed, i.e., no dissociation of the molecule occurs during interaction. Still a significant chemicurrent and a delayed exoelectron emission are detected due to a rapid injection of unoccupied molecular levels below the Fermi level. Since the valence band width of potassium is approximately equal to the potassium work function (2.4 eV) the underlying mechanism of exoemission is an Auger relaxation whereas chemicurrents are detected after resonant charge transfer from the metal valence band into the injected level. The change of the chemicurrent and exoemission efficiencies with oxygen coverage can be deduced from the kinetics of the reaction and the recorded internal and external emission currents traces. It is shown that the non-adiabaticity of the reaction increases with coverage due to a reduction of the electronic density of states at the surface while the work function does not vary significantly. Therefore, the peroxide formation is one of the first reaction systems which exhibits varying non-adiabaticity and efficiencies during the reaction. Non-adiabatic calculations based on model Hamiltonians and density functional theory support the picture of chemicurrent generation and explain the rapid injection of hot hole states by an intramolecular motion, i.e., the expansion of the oxygen molecule on the timescale of a quarter of a vibrational period. PMID:25149810

Thin potassium films grown on Si(001) substrates are used to measure internal chemicurrents and the external emission of exoelectrons simultaneously during adsorption of molecular oxygen on K surfaces at 120 K. The experiments clarify the dynamics of electronic excitations at a simple metal with a narrow valence band. X-ray photoemission reveals that for exposures below 5 L almost exclusively peroxide K{sub 2}O{sub 2} is formed, i.e., no dissociation of the molecule occurs during interaction. Still a significant chemicurrent and a delayed exoelectron emission are detected due to a rapid injection of unoccupied molecular levels below the Fermi level. Since the valence band width of potassium is approximately equal to the potassium work function (2.4 eV) the underlying mechanism of exoemission is an Auger relaxation whereas chemicurrents are detected after resonant charge transfer from the metal valence band into the injected level. The change of the chemicurrent and exoemission efficiencies with oxygen coverage can be deduced from the kinetics of the reaction and the recorded internal and external emission currents traces. It is shown that the non-adiabaticity of the reaction increases with coverage due to a reduction of the electronic density of states at the surface while the work function does not vary significantly. Therefore, the peroxide formation is one of the first reaction systems which exhibits varying non-adiabaticity and efficiencies during the reaction. Non-adiabatic calculations based on model Hamiltonians and density functional theory support the picture of chemicurrent generation and explain the rapid injection of hot hole states by an intramolecular motion, i.e., the expansion of the oxygen molecule on the timescale of a quarter of a vibrational period.

Bats are a major reservoir of emerging and re-emerging infectious diseases, including severe acute respiratory syndrome-like coronaviruses, henipaviruses, and Ebola virus. Although highly pathogenic to their spillover hosts, bats harbor these viruses, and a large number of other viruses, with little or no clinical signs of disease. How bats asymptomatically coexist with these viruses is unknown. In particular, little is known about bat adaptive immunity, and the presence of functional MHC molecules is mostly inferred from recently described genomes. In this study, we used an affinity purification/mass spectrometry approach to demonstrate that a bat MHC class I molecule, Ptal-N*01:01, binds antigenic peptides and associates with peptide-loading complex components. We identified several bat MHC class I-binding partners, including calnexin, calreticulin, protein disulfide isomerase A3, tapasin, TAP1, and TAP2. Additionally, endogenous peptide ligands isolated from Ptal-N*01:01 displayed a relatively broad length distribution and an unusual preference for a C-terminal proline residue. Finally, we demonstrate that this preference for C-terminal proline residues was observed in Hendra virus-derived peptides presented by Ptal-N*01:01 on the surface of infected cells. To our knowledge, this is the first study to identify endogenous and viral MHC class I ligands for any bat species and, as such, provides an important avenue for monitoring and development of vaccines against major bat-borne viruses both in the reservoir and spillover hosts. Additionally, it will provide a foundation to understand the role of adaptive immunity in bat antiviral responses. PMID:27183594

Radioastronomy reveals that clouds between the stars, once believed to consist of simple atoms, contain molecules as complex as seven atoms and may be the most massive objects in our Galaxy. (Author/DF)

The molecule modeling method known as Multibody Order (N) Dynamics, or MBO(N)D, was developed by Moldyn, Inc. at Goddard Space Flight Center through funding provided by the SBIR program. The software can model the dynamics of molecules through technology which stimulates low-frequency molecular motions and properties, such as movements among a molecule's constituent parts. With MBO(N)D, a molecule is substructured into a set of interconnected rigid and flexible bodies. These bodies replace the computation burden of mapping individual atoms. Moldyn's technology cuts computation time while increasing accuracy. The MBO(N)D technology is available as Insight II 97.0 from Molecular Simulations, Inc. Currently the technology is used to account for forces on spacecraft parts and to perform molecular analyses for pharmaceutical purposes. It permits the solution of molecular dynamics problems on a moderate workstation, as opposed to on a supercomputer.

This report is a comprehensive review of the field of molecular enumeration from early isomer counting theories to evolutionary algorithms that design molecules in silico. The core of the review is a detail account on how molecules are counted, enumerated, and sampled. The practical applications of molecular enumeration are also reviewed for chemical information, structure elucidation, molecular design, and combinatorial library design purposes. This review is to appear as a chapter in Reviews in Computational Chemistry volume 21 edited by Kenny B. Lipkowitz.

The Office of Inspector General Semiannual Report to the Congress covers the period October 1, 1994, through March 31, 1995. The report summarizes significant audit, inspection and investigative accomplishments for the reporting period, a large number of which facilitated Department management`s efforts to improve management controls and ensure efficient and effective operation. Narratives of the most significant reports are grouped by six primary performance measures: (1) Recommendations accepted by management, (2) Audit/inspection savings, recoveries, and funds identified for better use, (3) Legislative/regulatory compliance to recommendations, (4) Positive impacts on the Department after implementation of recommendations, (5) Complaints resolved, and (6) Investigation recoveries, fines, and funds identified for better use.

The semiannual variation of the geomagnetic activity is investigated in connection with a large set of solar wind and interplanetary magnetic field data (4494 daily averages from 1965 to 1987). Our analysis confirms that the geomagnetic activity (described by the aa index), is mainly modulated by the southward component of the magnetic field (BS), as suggested by Russell and McPherron. On the other hand, it is also found that the solar wind velocity (V) has a relevant role in this phenomenon. In fact, the amplitude of the aa modulation is best correlated with the function BSV2. We also explore the linkage between the annual trend of aa and the sunspot activity (1868-1989), showing that the modulation of the geomagnetic activity follows a more regular pattern during the descending phase of the solar cycle than during the rising and maximum parts.

Intermediate water exchange in the northwest tropical Pacific is explored with the temperature, salinity, and current measurements of a mooring system deployed at 8°N, 127.05°E during 2010-2014. For the first time, prominent semiannual variability (SAV; with the maximum power at ~ 187 days) of subthermocline meridional flow along the Mindanao coast is revealed. A significant correlation between meridional flow and salinity is found at intermediate depths. This provides direct evidence for the alternating transports of South Pacific and North Pacific Intermediate Waters by northward and southward undercurrents, respectively. Further analysis with an eddy-resolving ocean general circulation model demonstrates that the SAV is generated locally near the western boundary, manifesting as large-scale subthermocline recirculation and leading to alternating northward and southward flows near the Mindanao coast, which plays an efficient role in the intermediate water exchange of the northwest tropical Pacific. Mechanisms underlying the observed SAV are discussed.

This is the fourth issue of a semiannual report for the Isotope Separation and Advanced Materials Manufacturing (ISAM) Technology Program at Lawrence Livermore National Laboratory. Primary objectives include: (I) the Uranium Atomic Vapor Laser Isotope Separation (UAVLIS) process, which is being developed and prepared for deployment as an advanced uranium enrichment capability; (II) Advanced manufacturing technologies, which include industrial laser and E-beam material processing and new manufacturing technologies for uranium, plutonium, and other strategically important materials in support of DOE and other national applications. This report features progress in the ISAM Program from October 1993 through March 1994. Selected papers were indexed separately for inclusion in the Energy Science and Technology Database.

The search for past or present life signs is one of the primary goals of the future Mars exploratory missions. With this aim the Mars Organic Molecule Analyzer (MOMA) module of the ExoMars 2013 next coming European space mission is designed to the in situ analysis, in the Martian soil, of organic molecules of exobiological interest such as amino acids, carboxylic acids, nucleobases or polycyclic aromatic hydrocarbons (PAHs). In the frame of the MOMA experiment we have been developing a Sample Processing System (SPS) compatible with gas chromatography (GC) analysis. The main goal of SPS is to allow the extraction and the gas chromatography separation of the refractory organic compounds from a solid matrix at trace level within space compatible operating conditions. The SPS is a mini-reactor, containing the solid sample (~500mg), able to increase (or decrease) the internal temperature from 20 to 500 °C within 13 sec. The extraction step is therefore performed by using thermodesorption, the best yield of extraction being obtained at 300°C for 10 to 20 min. It has to be noticed that the temperature could be increased up to 500°C without a significant lost of efficiency if the heating run time is kept below 3 min. After the thermodesorption the chemical derivatization of the extracted compounds is performed directly on the soil with a mixture of MTBSTFA and DMF [buch et al.]. By decreasing the polarity of the target molecules, this step allows their volatilization at a temperature below 250°C without any chemical degradation. Once derivatized, the targeted volatile molecules are transferred through a heated transfer line in the gas chromatograph coupled with a mass spectrometer for the detection. The SPS is a "one step/one pot" sample preparation system which should allow the MOMA experiment to detect the refractory molecules absorbed in the Martian soil at a detection limit below the ppb level. A. Buch, R. Sternberg, C. Szopa, C. Freissinet, C. Garnier, J. El Bekri

Long-range electronic excitation energy transfer is studied in the framework of a generalized master equation approach, which offers a systematic account for higher-order processes. Bridge molecule mediated transfer is confronted with the direct excitation energy exchange via photon emission and absorption. It is the central aim of this paper to present a systematic study of fourth-order rates, which describe both types of transfer processes characterized by the presence of intermediate states. While such a Liouville space formulation of rates is known from bridge mediated transfer, it is new for the case of photon mediated processes. In the former case, however, a novel approach to account for intermediate state relaxation is introduced. Finally and for illustration, some estimates are offered for the length dependence of the various discussed transfer rates. PMID:19044952

Experimental and theoretical studies of one-electron capture in collisions of He{sup 2+} ions with H{sub 2}O molecules have been carried out in the range 0.025-12 keV amu{sup -1} corresponding to typical solar wind velocities of 70-1523 km s{sup -1}. Translational energy spectroscopy (TES), photon emission spectroscopy (PES), and fragment ion spectroscopy were employed to identify and quantify the collision mechanisms involved. Cross sections for selective single electron capture into n=1, 2, and 3 states of the He{sup +} ion were obtained using TES while PES provided cross sections for capture into the He{sup +}(2p) and He{sup +}(3p) states. Our model calculations show that He{sup +}(n=2) and He{sup +}(n=3) formation proceeds via a single-electron process governed by the nucleus-electron interaction. In contrast, the He{sup +}(1s) formation mechanism involves an exothermic two-electron process driven by the electron-electron interaction, where the potential energy released by the electron capture is used to remove a second electron thereby resulting in fragmentation of the H{sub 2}O molecule. This process is found to become increasingly important as the collision energy decreases. The experimental cross sections are found to be in reasonable agreement with cross sections calculated using the Demkov and Landau-Zener models.

Satellite CO2 retrievals from the Greenhouse gases Observing SATellite (GOSAT), Atmospheric Infrared Sounder (AIRS), and Tropospheric Emission Spectrometer (TES) and in situ measurements from the National Oceanic and Atmospheric Administration - Earth System Research Laboratory (NOAA-ESRL) Surface CO2 and Total Carbon Column Observing Network (TCCON) are utilized to explore the CO2 variability at different altitudes. A multiple regression method is used to calculate the CO2 annual cycle and semiannual cycle amplitudes from different data sets. The CO2 annual cycle and semiannual cycle amplitudes for GOSAT XCO2 and TCCON XCO2 are consistent but smaller than those seen in the NOAA-ESRL surface data. The CO2 annual and semiannual cycles are smallest in the AIRS midtropospheric CO2 compared with other data sets in the Northern Hemisphere. The amplitudes for the CO2 annual cycle and semiannual cycle from GOSAT, TES, and AIRS CO2 are small and comparable to each other in the Southern Hemisphere. Similar regression analysis is applied to the Model for OZone And Related chemical Tracers-2 and CarbonTracker model CO2. The convolved model CO2 annual cycle and semiannual cycle amplitudes are similar to those from the satellite CO2 retrievals, although the models tend to underestimate the CO2 seasonal cycle amplitudes in the Northern Hemisphere midlatitudes and underestimate the CO2 semiannual cycle amplitudes in the high latitudes. These results can be used to better understand the vertical structures for the CO2 annual cycle and semiannual cycle and help identify deficiencies in the models, which are very important for the carbon budget study.

Turoctocog alfa (NovoEight) is a third-generation recombinant factor VIII (rFVIII) with a truncated B-domain that is manufactured in Chinese hamster ovary cells. No human or animal-derived materials are used in the process. The aim of this study is to describe the molecular design and purification process for turoctocog alfa. A five-step purification process is applied to turoctocog alfa: protein capture on mixed-mode resin; immunoaffinity chromatography using a unique, recombinantly produced anti-FVIII mAb; anion exchange chromatography; nanofiltration and size exclusion chromatography. This process enabled reduction of impurities such as host cell proteins (HCPs) and high molecular weight proteins (HMWPs) to a very low level. The immunoaffinity step is very important for the removal of FVIII-related degradation products. Manufacturing scale data shown in this article confirmed the robustness of the purification process and a reliable and consistent reduction of the impurities. The contribution of each step to the final product purity is described and shown for three manufacturing batches. Turoctocog alfa, a third-generation B-domain truncated rFVIII product is manufactured in Chinese hamster ovary cells without the use of animal or human-derived proteins. The five-step purification process results in a homogenous, highly purified rFVIII product. PMID:26761578

Turoctocog alfa (NovoEight) is a third-generation recombinant factor VIII (rFVIII) with a truncated B-domain that is manufactured in Chinese hamster ovary cells. No human or animal-derived materials are used in the process. The aim of this study is to describe the molecular design and purification process for turoctocog alfa. A five-step purification process is applied to turoctocog alfa: protein capture on mixed-mode resin; immunoaffinity chromatography using a unique, recombinantly produced anti-FVIII mAb; anion exchange chromatography; nanofiltration and size exclusion chromatography. This process enabled reduction of impurities such as host cell proteins (HCPs) and high molecular weight proteins (HMWPs) to a very low level. The immunoaffinity step is very important for the removal of FVIII-related degradation products. Manufacturing scale data shown in this article confirmed the robustness of the purification process and a reliable and consistent reduction of the impurities. The contribution of each step to the final product purity is described and shown for three manufacturing batches. Turoctocog alfa, a third-generation B-domain truncated rFVIII product is manufactured in Chinese hamster ovary cells without the use of animal or human-derived proteins. The five-step purification process results in a homogenous, highly purified rFVIII product. PMID:26761578

In this paper general concepts relating to, and recent advances in, the study of negative ions of polyatomic molecules area discussed with emphasis on halocarbons. The topics dealt with in the paper are as follows: basic electron attachment processes, modes of electron capture by molecules, short-lived transient negative ions, dissociative electron attachment to ground-state molecules and to "hot" molecules (effects of temperature on electron attachment), parent negative ions, effect of density, nature, and state of the medium on electron attachment, electron attachment to electronically excited molecules, the binding of attached electrons to molecules ("electron affinity"), and the basic and the applied significance of negative-ion studies. PMID:7428744

Research conducted during the past year in the climate and modeling programs has concentrated on the development of appropriate atmospheric and upper ocean models, and preliminary applications of these models. Principal models are a one-dimensional radiative-convective model, a three dimensional global climate model, and an upper ocean model. Principal applications have been the study of the impact of CO2, aerosols, and the solar constant on climate. Progress was made in the 3-D model development towards physically realistic treatment of these processes. In particular, a map of soil classifications on 1 degree by 1 degree resolution has now been digitized, and soil properties have been assigned to each soil type. Using this information about soil properties, a method has been developed to simulate the hydraulic behavior of the soils of the world. This improved treatment of soil hydrology, together with the seasonally varying vegetation cover, will provide a more realistic study of the role of the terrestrial biota in climate change. A new version of the climate model was created which follows the isotopes of water and sources of water throughout the planet.

We present a novel top-electrode spray-coating process for the solution-based deposition of silver nanowires (AgNWs) onto vacuum-processed small molecule organic electronic solar cells. The process is compatible with organic light emitting diodes (OLEDs) and organic light emitting thin film transistors (OLETs) as well. By modifying commonly synthesized AgNWs with a perfluorinated methacrylate, we are able to disperse these wires in a highly fluorinated solvent. This solvent does not dissolve most organic materials, enabling a top spray-coating process for sensitive small molecule and polymer-based devices. The optimized preparation of the novel AgNW dispersion and spray-coating at only 30 °C leads to high performance electrodes directly after the deposition, exhibiting a sheet resistance of 10.0 Ω □-1 at 87.4% transparency (80.0% with substrate). By spraying our novel AgNW dispersion in air onto the vacuum-processed organic p-i-n type solar cells, we obtain working solar cells with a power conversion efficiency (PCE) of 1.23%, compared to the air exposed reference devices employing thermally evaporated thin metal layers as the top-electrode.We present a novel top-electrode spray-coating process for the solution-based deposition of silver nanowires (AgNWs) onto vacuum-processed small molecule organic electronic solar cells. The process is compatible with organic light emitting diodes (OLEDs) and organic light emitting thin film transistors (OLETs) as well. By modifying commonly synthesized AgNWs with a perfluorinated methacrylate, we are able to disperse these wires in a highly fluorinated solvent. This solvent does not dissolve most organic materials, enabling a top spray-coating process for sensitive small molecule and polymer-based devices. The optimized preparation of the novel AgNW dispersion and spray-coating at only 30 °C leads to high performance electrodes directly after the deposition, exhibiting a sheet resistance of 10.0 Ω □-1 at 87

Encapsulation of several biologically important proteins, cytochrome c, catalase, myoglobin, and hemoglobin, into transparent porous silica matrices by an aqueous colloidal sol-gel process that requires no alcohol is reported. Optical characterization indicates a successful retention of protein conformation after encapsulation. The conformation retention is strongly correlated to both the rate of gelation and the subsequent drying speed. Using hemoglobin as a model protein, a higher colloidal solid concentration and a lower synthesis pH were found, both causing faster gelation, resulting in a better retention of conformation. Hemoglobin encapsulated in a thin film, which dries faster, also showed a better retention than in the bulk. This is attributed to the fact that when a protein is isolated, and especially when it is confined to a space close to its own dimensions, conformational changes are sterically hindered, hence the structural stability. Enzymatic activity of bovine liver catalase was also monitored and showed a remarkable improvement when encapsulated using the aqueous colloidal process, compared to using the conventional alkoxide-based process. Thus, the aqueous colloidal sol-gel process offers a promising alternative to the conventional sol-gel process for encapsulating biomolecules into transparent, porous matrices.

The transporter associated with antigen processing (TAP) delivers the viral proteolytic products generated by the proteasome in the cytosol to the endoplasmic reticulum lumen that are subsequently recognized by cytotoxic T lymphocytes (CTLs). However, several viral epitopes have been identified in TAP-deficient models. Using mass spectrometry to analyze complex human leukocyte antigen (HLA)-bound peptide pools isolated from large numbers of TAP-deficient vaccinia virus-infected cells, we identified 11 ligands naturally presented by four different HLA-A, HLA-B, and HLA-C class I molecules. Two of these ligands were presented by two different HLA class I alleles, and, as a result, 13 different HLA-peptide complexes were formed simultaneously in the same vaccinia virus-infected cells. In addition to the high-affinity ligands, one low-affinity peptide restricted by each of the HLA-A, HLA-B, and HLA-C class I molecules was identified. Both high- and low-affinity ligands generated long-term memory CTL responses to vaccinia virus in an HLA-A2-transgenic mouse model. The processing and presentation of two vaccinia virus-encoded HLA-A2-restricted antigens took place via proteasomal and nonproteasomal pathways, which were blocked in infected cells with chemical inhibitors specific for different subsets of metalloproteinases. These data have implications for the study of the effectiveness of early empirical vaccination with cowpox virus against smallpox disease. PMID:22031944

A new acceptor-donor-acceptor (A-D-A) small molecule, namely, BDT-PO-DPP, based on the alkoxyphenyl (PO)-substituted benzo[1,2-b:4,5-b']dithiophene (BDT) derivative and the diketopyrrolopyrrole (DPP) unit was synthesized as an electron donor for solution-processed small-molecule organic solar cells (SMOSCs). BDT-PO-DPP exhibited good thermal stability, with a 5 % weight-lost temperature at 401 °C under a nitrogen atmosphere. BDT-PO-DPP exhibited a lower HOMO energy level of -5.25 eV and a weaker aggregation ability than alkoxy-substituted BDT-O-DPP. A bulk heterojunction SMOSC device based on BDT-PO-DPP and [6,6]-phenyl-C61 -butyric acid methyl ester was prepared, and it showed a power conversion efficiency up to 5.63% with a high open-circuit voltage of 0.83 V, a short circuit current density of 11.23 mA cm(-2) , and a fill factor of 60.37% by using 1,2-dichlorobenzene as the co-solvent after thermal annealing at 110 °C. The results indicate that the alkoxyphenyl-substituted BDT derivative is a promising electron-donor building block for constructing highly efficient solution-processed SMOSCs. PMID:25346491

We have compared the intracellular transport and subcellular distribution of MHC class II-invariant chain complexes in a wild-type HLA-DR3 homozygous cell line and a mutant cell line, T2.DR3. The latter has a defect in antigen processing and accumulates HLA-DR3 molecules associated with an invariant chain-derived peptide (CLIP) rather than the normal complement of peptides derived from endocytosed proteins. We find that in the wild-type cells, CLIP is transiently associated with HLA-DR3 molecules, suggesting that the peptide is a normal class II-associated intermediate generated during proteolysis of the invariant chain. In the mutant cell line proteolysis of the invariant chain is less efficient, and HLA-DR3/CLIP complexes are generated much more slowly. Examination of the mutant cell line by immunoelectronmicroscopy shows that class II-invariant chain complexes accumulate intracellularly in large acidic vesicles which contain lysosomal markers, including beta-hexosaminidase, cathepsin D, and the lysosomal membrane protein CD63. The markers in these vesicles are identical to those seen in the class II-containing vesicles (MIICs) seen in the wild-type cells but the morphology is drastically different. The vesicles in the mutant cells are endocytic, as measured by the internalization of BSA-gold conjugates. The implication of these findings for antigen processing in general and the nature of the mutation in particular are discussed. PMID:8207055

We present a nonperturbative theory to describe multielectronic processes occurring in the course of collisions between an ion and a molecule. The approach is based on the expansion of the electronic scattering wave function onto asymptotic mono- or multicenter states with proper translational conditions and includes both static and dynamical electronic correlations. Therefore, it has a wide application range around intermediate impact velocities v{approx_equal}v{sub e}, where v{sub e} is the averaged electron velocity in the initial state. As a first application, we report results on single- and double-electron capture processes in He{sup 2+}-H{sub 2} collisions for impact energies ranging from 0.01 to 25 keV/u. Special emphasis on the prediction of cross sections for double-electron capture into doubly excited states of helium is addressed.

One of the striking characteristics of fundamental biological processes, such as genetic inheritance, development and primary metabolism, is the limited amount of variation in the molecules involved. Natural selective pressures act strongly on these core processes and individuals carrying mutations and producing slightly sub-optimal versions of…

The objective of the ARandTD Fossil Energy Materials Program is to conduct research and development on materials for fossil energy applications with a focus on the longer-term and generic needs of the various fossil fuel technologies. The program includes research aimed toward a better understanding of materials behavior in fossil energy environments and the development of new materials capable of substantial enhancement of plant operations and reliability. The ORNL Fossil Energy Materials Program Office compiles and issues this combined semiannual progress report from camera-ready copies submitted by each of the participating subcontractor organizations. This report of activities on the program is organized in accordance with a work breakdown structure in which projects are organized according to materials research thrust areas. These areas are (1) Structural Ceramics, (2) Alloy Development and Mechanical Properties, (3) Corrosion and Erosion of Alloys, and (4) Assessments and Technology Transfer. Individual projects are processed separately for the data bases.

The Consortium for Plant Biotechnology Research, Inc. (CPBR) continues to operate according to objectives outlined in the proposal funded through the cooperative agreement. The italicized objectives below are addressed in this report, which covers the period September 30,1999 through March 31, 2000. (1) Update the research agenda using information obtained from member companies. (2) Identify and implement research projects that are deemed by industrial, scientific, and sponsoring agency evaluation to address significantly the problems and future of U.S. energy resources and that are relevant to the Department of Energy's mission. Specifically: (1) Announce research grants competition through a Request for Preproposals. (2) Conduct a dual-stage review process: Stage one--industrial and DOE review of preproposals; and Stage two--peer review, scientific consultants' review, DOE review of full proposals and Project Recommendation Committee evaluation and recommendation for funding. (3) Board of Directors approval of recommended awards. (4) Conduct ongoing project management. (5) Obtain semiannual, annual and final reports for evaluation of research goals and technology transfer. (6) Present reports to DOE.

The objective of the Surface Gasification Materials Program is to conduct research and development on materials for application to the specific needs of coal gasification systems. One of the goals of the program is to evaluate innovative fabrication methods which have the potential to lower costs and improve reliability and safety for gasifier vessels and components. Another goal is to conduct engineering-scale development and application of materials for coal gasification systems to ensure that the materials of construction for pilot plants and future large-scale plants can be properly selected and specified. Contents of this semiannual progress report include: (1) corrosion studies of plant materials surveillance tests; (2) slagging gasifier refractories - application/evaluation; (3) protective coatings and claddings - application/evaluation; (4) corrosion of structural ceramics in coal gasification environments; (5) advanced pressure vessel materials technology; (6) electroslag component casting; (7) production and evaluation of electroslag castings; (8) cost reduction of electroslag casting manufacturing process; and (9) quantitative microstructural characterization of steel casting.

The Analytical Development (AD) Section field nuclear measurement group performed six 'best available technique' verification measurements to satisfy a DOE requirement instituted for the March 2009 semi-annual inventory. The requirement of (1) yielded the need for SRNL Research Operations Department Material Control & Accountability (MC&A) group to measure the Pu content of five items and the highly enrich uranium (HEU) content of two. No 14Q-qualified measurement equipment was available to satisfy the requirement. The AD field nuclear group has routinely performed the required Confirmatory Measurements for the semi-annual inventories for fifteen years using sodium iodide and high purity germanium (HpGe) {gamma}-ray pulse height analysis nondestructive assay (NDA) instruments. With appropriate {gamma}-ray acquisition modeling, the HpGe spectrometers can be used to perform verification-type quantitative assay for Pu-isotopics and HEU content. The AD nuclear NDA group is widely experienced with this type of measurement and reports content for these species in requested process control, MC&A booking, and holdup measurements assays Site-wide. However none of the AD HpGe {gamma}-ray spectrometers have been 14Q-qualified, and the requirement of reference 1 specifically excluded a {gamma}-ray PHA measurement from those it would accept for the required verification measurements. The requirement of reference 1 was a new requirement for which the Savannah River National Laboratory (SRNL) Research Operations Department (ROD) MC&A group was unprepared. The criteria for exemption from verification were: (1) isotope content below 50 grams; (2) intrinsically tamper indicating or TID sealed items which contain a Category IV quantity of material; (3) assembled components; and (4) laboratory samples. Therefore all (SRNL) Material Balance Area (MBA) items with greater than 50 grams total Pu or greater than 50 grams HEU were subject to a verification measurement. The pass

To reveal the influence of cosmic factors on cloud covering, we study the inter-annual distributions of cloudless days (CD) and cloudless nights (CN) in Abastumani Astrophysical Observatory (AAO - 41.75N, 42.82E), using the continuous data of CD and CN, covering three 11-year solar cycles. It was revealed that the greatest number of CD was in August, while the greatest number of CN was in September. This picture changed when geomagnetically disturbed conditions had been considered. For weak and moderate geomagnetic disturbances, the greatest number of CD moves to September, where the frequency of magnetically disturbed day-nights is the highest during a year. On the other hand, at geomagnetically quiet conditions the maximum number of CN appears in August. These observed properties in the inter-annual distributions of cloud cover may indicate the impact of cosmic factors on cloud formation process. It is demonstrated for the considered dataset that the inter-annual variations of relative number of CD are well described by the sum of harmonic functions with annual and semi-annual periods. By this description the maximum of the annual relative number of CD is in Augusts and the amplitude of its variations does not depend on the planetary geomagnetic Ap index. For the semi-annual variations of these CD the maxima are in March and April, the amplitude depending on Ap index values, which also may indicate possible impact of cosmic factors on cloud cover. These maxima in March and April are significant at Ap≥8 and increase at Ap≥12 and Ap≥20. Cloud covering processes differ during day-time and night-time which can influence the radiative balance at the Earth's surface. This influence is different in various seasons resulting in different variability of day- and night-time cloud covering which can affect the regional climate.

We report an n-type organic semiconductor [2-({7-(9,9-di-n-propyl-9H-fluoren-2-yl}benzo[c][1,2,5]thiadiazol-4-yl)methylene]malononitrile (herein referred to as K12) for use in organic field-effect transistors (OFETs). K12 can be processed by spin-coating from solution or by vacuum deposition, organizing into highly orientated microcrystalline structures at modest (75 °C) annealing temperatures. OFETs with n-octyltrichlorosilane or hexamethyldisilazane monolayers, or poly(propylene-co-1-butene) (PPCB) modified dielectric surfaces were prepared. The mobility, ON/OFF ratio, threshold voltage, and current hysteresis were found to be dependent on the thermal history of the film and surface onto which it was deposited. The highest OFET mobility achieved was 2.4×10-3 cm2/V s, for spin-coated films with a PPCB modified silicon dioxide dielectric.

Unlike nanoscrolls of 2D graphene, those of 2D h-BN have not been demonstrated, except for only a few experimental reports. Nanoscrolls of h-BN with high yields and reproducibility are first synthesized by a simple solution process. Inner-tube diameters of BNSs including LCAs, N-(2-aminoethyl)-3α-hydroxy-5β-cholan-24-amide, a bile acid derivative and self-assembling material, can be controlled by adjusting the diameter of the LCA fiber which is grown by self-assembly. TEM and SEM images show that BNSs have a tube-like morphology and the inner-tube diameter of BNSs can be controlled in the range from 20 to 60 nm for a smaller diameter, up to 300 nm for a larger diameter by LCA fiber growth inside the BNSs. Finally, open cylindrical BNSs with hollow cores were obtained by dissolving LCAs inside BNSs.Unlike nanoscrolls of 2D graphene, those of 2D h-BN have not been demonstrated, except for only a few experimental reports. Nanoscrolls of h-BN with high yields and reproducibility are first synthesized by a simple solution process. Inner-tube diameters of BNSs including LCAs, N-(2-aminoethyl)-3α-hydroxy-5β-cholan-24-amide, a bile acid derivative and self-assembling material, can be controlled by adjusting the diameter of the LCA fiber which is grown by self-assembly. TEM and SEM images show that BNSs have a tube-like morphology and the inner-tube diameter of BNSs can be controlled in the range from 20 to 60 nm for a smaller diameter, up to 300 nm for a larger diameter by LCA fiber growth inside the BNSs. Finally, open cylindrical BNSs with hollow cores were obtained by dissolving LCAs inside BNSs. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr00897a

We have prepared different hybrid polymer-phthalocyanine materials by solution processing, starting from two sulfonated phthalocyanines, s-CoPc and CuTsPc, and polyvinylpyrrolidone (PVP), polyethylene glycol (PEG), poly(acrylic acid-co-acrylamide) (PAA-AM), poly(diallyldimethylammonium chloride) (PDDA) and polyaniline (PANI) as polymers. We also studied the response to ammonia (NH3) of resistors prepared from these sensing materials. The solvent casted films, prepared from s-CoPc and PVP, PEG and PAA-AM, were highly insulating and very sensitive to the relative humidity (RH) variation. The incorporation of s-CoPc in PDDA by means of layer-by-layer (LBL) technique allowed to stabilize the film, but was too insulating to be interesting. We also prepared PANI-CuTsPc hybrid films by LBL technique. It allowed a regular deposition as evidenced by the linear increase of the absorbance at 688 nm as a function of the number of bilayers. The sensitivity to ammonia (NH3) of PANi-CuTsPc resistors was very high compared to that of individual materials, giving up to 80% of current decrease when exposed to 30 ppm NH3. Contrarily to what happens with neutral polymers, in PANI, CuTsPc was stabilized by strong electrostatic interactions, leading to a stable response to NH3, whatever the relative humidity in the range 10%–70%. Thus, the synergy of PANI with ionic macrocycles used as counteranions combined with their simple aqueous solution processing opens the way to the development of new gas sensors capable of operating in real world conditions. PMID:25061841

Fourier transform spectrometer observations of the mesosphere have been performed at the University of Michigan (latitude: 42.5 N) on a long term basis. A database of near infrared Meinel hydroxyl spectra has been accumulated from which rotational temperatures have been determined. Harmonic analysis of one-day averaged temperatures for the period 1992.0 to 1994.5 has shown a distinct annual and semi-annual variation. Subsequent fitting of a five term periodic function characterizing the annual and semi-annual temperature oscillations to the daily averaged temperatures was performed. The resultant mean temperature and the amplitudes and phases of the annual and semi-annual variations are shown to coincide with an emission height slightly above 85 km which is consistent with the mean rocket derived altitude for peak nocturnal hydroxyl emission.

Both solution-processed polymers and small molecule based solar cells have achieved PCEs over 9% with the conventional device structure. However, for the practical applications of photovoltaic technology, further enhancement of both device performance and stability are urgently required, particularly for the inverted structure devices, since this architecture will probably be most promising for the possible coming commercialization. In this work, we have fabricated both conventional and inverted structure devices using the same small molecular donor/acceptor materials and compared the performance of both device structures, and found that the inverted structure based device gave significantly improved performance, the highest PCE so far for inverted structure based device using small molecules as the donor. Furthermore, the inverted device shows a remarkable stability with almost no obvious degradation after three months. Systematic device physics and charge generation dynamics studies, including optical simulation, light-intensity-dependent current-voltage experiments, photocurrent density-effective voltage analyses, transient absorption measurements, and electrical simulations, indicate that the significantly enhanced performance using inverted device is ascribed to the increasing of Jsc compared to the conventional device, which in turn is mainly attributed to the increased absorption of photons in the active layers, rather than the reduced nongeminate recombination. PMID:26352703

Data are presented on multiphoton dissociation of halogenated methanes, CF3I and CF3Br, in a pulsed CO2 laser field in the single-pulse irradiation regime. It is shown that the high parameters of an elementary separation event (dissociation yield and selectivity, quantum efficiency) for these molecules can be used to achieve efficient laser separation of the carbon isotopes 12C and 13C. An analysis is made of problems involved in organizing the chemical cycle when the process is scaled up. A description is given of an apparatus for scaled-up laser isotope separation, including a pulse-periodic CO2 laser with a kilowatt average power, and a laser separation cell. Experiments carried out using this apparatus showed that the high parameters obtained in the single-pulse regime can also be achieved using this design and a yield rate comparable with that of traditional separation systems can be achieved for fairly low energy losses. These results make it possible to develop a commercial system for laser isotope separation using multiphoton dissociation of molecules.

Single-stranded DNA binding proteins (SSBs) are ubiquitous across all organisms and are characterized by the presence of an OB (oligonucleotide/oligosaccharide/oligopeptide) binding motif to recognize single-stranded DNA (ssDNA). Despite their critical role in genome maintenance, our knowledge about SSB function is limited to proteins containing multiple OB-domains and little is known about single OB-folds interacting with ssDNA. Sulfolobus solfataricus SSB (SsoSSB) contains a single OB-fold and being the simplest representative of the SSB-family may serve as a model to understand fundamental aspects of SSB:DNA interactions. Here, we introduce a novel approach based on the competition between Förster resonance energy transfer (FRET), protein-induced fluorescence enhancement (PIFE) and quenching to dissect SsoSSB binding dynamics at single-monomer resolution. We demonstrate that SsoSSB follows a monomer-by-monomer binding mechanism that involves a positive-cooperativity component between adjacent monomers. We found that SsoSSB dynamic behaviour is closer to that of Replication Protein A than to Escherichia coli SSB; a feature that might be inherited from the structural analogies of their DNA-binding domains. We hypothesize that SsoSSB has developed a balance between high-density binding and a highly dynamic interaction with ssDNA to ensure efficient protection of the genome but still allow access to ssDNA during vital cellular processes. PMID:26578575

Aims: We study the chemistry of the type IIb supernova ejecta, which led to the Cas A supernova remnant, to assess the chemical type and quantity of dust that forms and evolves in the remnant phase. We later model a dense oxygen-rich ejecta knot, which is crossed by the reverse shock in Cas A, to study the evolution of the clump gas phase and the possibility to reform dust clusters in the post-reverse shock gas. Methods: The chemistry is described by a chemical network that includes all possible processes that are efficient at high gas temperatures and densities. The formation of key bimolecular species (e.g., CO and SiO) and dust clusters of silicates, alumina, silica, metal carbides and sulphides, pure metals, and amorphous carbon is considered. A set of stiff, coupled ordinary differential equations is solved for the conditions pertaining to both the SN ejecta and the post-reverse shock gas. Results: We find that the ejecta of type IIb SNe are unable to form large amounts of molecules and molecular clusters that are precursors to dust grains, when compared to their type II-P counterparts, because of their diffuse ejecta. The ejecta gas density needs to be increased by several orders of magnitude to allow for the formation of dust clusters. We show that the chemical composition of the dust clusters that form changes drastically and gains in chemical complexity with increasing gas density. Hence, the ejecta of the Cas A supernova progenitor must have been in the form of dense clumps to account for the dust chemical composition and masses that have been inferred from infrared observations of Cas A. As for the impact of the reverse shock on dense ejecta clumps, we show that the ejecta molecules that are destroyed by the shock reform in the post-reverse shock gas with lower abundances than those of the initial ejecta clump, except for SiO. These molecules include CO, SiS, and O2. On the other hand, dust clusters are destroyed by the reverse shock and do not reform in

Earth's middle and upper atmosphere exhibits several dominant large-scale oscillations in many measured parameters. One of these oscillations is the semi-annual oscillation (SAO). The SAO can be detected in the ionospheric total electron content (TEC), the ionospheric transition height, the wind regime in the mesosphere-lower thermosphere (MLT), and in the MLT temperatures. In addition, as we report for the first time in this study, the SAO is among the most dominant oscillations in nighttime very low frequency (VLF) narrowband (NB) subionospheric measurements. As VLF signals are reflected off the ionospheric D region (at altitudes of ˜ 65 and ˜ 85 km, during the day and night, respectively), this implies that the upper part of the D region is experiencing this oscillation as well, through changes in the dominating electron or ion densities, or by changes in the electron collision frequency, recombination rates, and attachment rates, all of which could be driven by oscillatory MLT temperature changes. We conclude that the main source of the SAO in the nighttime D region is NOx molecule transport from the lower levels of the thermosphere, resulting in enhanced ionization and the creation of free electrons in the nighttime D region, thus modulating the SAO signature in VLF NB measurements. While the cause for the observed SAO is still a subject of debate, this oscillation should be taken into account when modeling the D region in general and VLF wave propagation in particular.

DNA helicases are motor proteins that unwind double-stranded DNA (dsDNA) to reveal single-stranded DNA (ssDNA) needed for many biological processes. The RecQ helicase is involved in repairing damage caused by DNA breaks and stalled replication forks via homologous recombination. Here, the helicase activity of RecQ was visualized on single molecules of DNA using a fluorescent sensor that directly detects ssDNA. By monitoring the formation and progression of individual unwinding forks, we observed that both the frequency of initiation and the rate of unwinding are highly dependent on RecQ concentration. We establish that unwinding forks can initiate internally by melting dsDNA and can proceed in both directions at up to 40–60 bp/s. The findings suggest that initiation requires a RecQ dimer, and that continued processive unwinding of several kilobases involves multiple monomers at the DNA unwinding fork. We propose a distinctive model wherein RecQ melts dsDNA internally to initiate unwinding and subsequently assembles at the fork into a distribution of multimeric species, each encompassing a broad distribution of rates, to unwind DNA. These studies define the species that promote resection of DNA, proofreading of homologous pairing, and migration of Holliday junctions, and they suggest that various functional forms of RecQ can be assembled that unwind at rates tailored to the diverse biological functions of RecQ helicase. PMID:26540728

Mycoplasma hyopneumoniae, the aetiological agent of porcine enzootic pneumonia, regulates the presentation of proteins on its cell surface via endoproteolysis, including those of the cilial adhesin P123 (MHJ_0194). These proteolytic cleavage events create functional adhesins that bind to proteoglycans and glycoproteins on the surface of ciliated and non-ciliated epithelial cells and to the circulatory host molecule plasminogen. Two dominant cleavage events of the P123 preprotein have been previously characterized; however, immunoblotting studies suggest that more complex processing events occur. These extensive processing events are characterized here. The functional significance of the P97 cleavage fragments is also poorly understood. Affinity chromatography using heparin, fibronectin and plasminogen as bait and peptide arrays were used to expand our knowledge of the adhesive capabilities of P123 cleavage fragments and characterize a novel binding motif in the C-terminus of P123. Further, we use immunohistochemistry to examine in vivo, the biological significance of interactions between M. hyopneumoniae and fibronectin and show that M. hyopneumoniae induces fibronectin deposition at the site of infection on the ciliated epithelium. Our data supports the hypothesis that M. hyopneumoniae possesses the molecular machinery to influence key molecular communication pathways in host cells. PMID:25293691

DNA helicases are motor proteins that unwind double-stranded DNA (dsDNA) to reveal single-stranded DNA (ssDNA) needed for many biological processes. The RecQ helicase is involved in repairing damage caused by DNA breaks and stalled replication forks via homologous recombination. Here, the helicase activity of RecQ was visualized on single molecules of DNA using a fluorescent sensor that directly detects ssDNA. By monitoring the formation and progression of individual unwinding forks, we observed that both the frequency of initiation and the rate of unwinding are highly dependent on RecQ concentration. We establish that unwinding forks can initiate internally by melting dsDNA and can proceed in both directions at up to 40-60 bp/s. The findings suggest that initiation requires a RecQ dimer, and that continued processive unwinding of several kilobases involves multiple monomers at the DNA unwinding fork. We propose a distinctive model wherein RecQ melts dsDNA internally to initiate unwinding and subsequently assembles at the fork into a distribution of multimeric species, each encompassing a broad distribution of rates, to unwind DNA. These studies define the species that promote resection of DNA, proofreading of homologous pairing, and migration of Holliday junctions, and they suggest that various functional forms of RecQ can be assembled that unwind at rates tailored to the diverse biological functions of RecQ helicase. PMID:26540728

In this paper, observations from CHAMP and GRACE during 2002-2010 are used to study the seasonal variations of thermospheric density by characterizing the dominant modes of thermospheric density variability as empirical orthogonal functions (EOFs). Our results showed that the first three EOFs captured most of the density variability, which can be as large as 98% of total density variability. Subsequently, the obtained mean field, first three EOFs and the corresponding amplitudes of three EOFs are applied to construct a thermospheric density model at 400 km to study seasonal variations of thermospheric density under geomagnetically quiet conditions. Thermospheric density shows strong latitudinal dependence in seasonal variation, although it usually has maxima near the equinoxes and minimum in the local winter at middle and high latitudes. Semiannual variations imbedded in the annual variations are seen at all latitudes; annual variations however become dominant in the southern hemisphere. Specifically, the observations show that the annual amplitude can reach as large as 40-50% of the annual mean at high latitudes in the southern hemisphere and it decreases gradually from the southern to northern hemisphere. The semiannual component to the annual mean is about 15-20% without significant latitudinal dependence. Additionally, the relative amplitudes of annual and semiannual variations in the MSISE00 density agree fairly well with the observations, albeit the MSISE00 gives an opposite solar activity dependence for the annual and semiannual variations compared with the positive F107 dependence seen in the observations.

This is the twenty-seventh in a series of semiannual technical progress reports on fusion materials. This report combines the full spectrum of research and development activities on both metallic and non-metallic materials with primary emphasis on the effects of the neutronic and chemical environment on the properties and performance of materials for in-vessel components.

This semiannual report to Congress on the activities and accomplishments of the Office of Inspector General (OIG), U.S. Department of Education (Department) from April 1, 2007, through September 30, 2007, highlights the audits, inspections, investigations, and other activities to illustrate an ongoing commitment to promoting accountability,…

...The Department of Transportation, Office of the Secretary of Transportation, announces the First Semi-Annual Aviation Workforce Management Conference which will be held in Washington DC. The Conference will be co-hosted by the Secretary of Transportation Ray LaHood, Secretary of Labor Hilda L. Solis and Secretary of Education Arne Duncan. The Federal Aviation Administrator J. Randolph (Randy)......

This document is the third semi-annual report describing the technical progress of the US DOE projects directed at gas recovery from unconventional sources. Currently the program includes Methane Recovery from Coalbeds Project, Eastern Gas Shales Project, Western Gas Sands Project, and Geopressured Aquifers Project.

EStablished in 1980 to help improve management effectiveness, the U.S. Department of Education's Office of Inspector General (OIG) is responsible for audit, investigative, fraud detection and prevention, and some security services for the Department. In this document--its first semi-annual report--the OIG first describes its organizational…

The NRC Regulatory Agenda is a compilation of all rules on which the NRC has recently completed action, or has proposed action, or is considering action, and all petitions for rulemaking which have been received by the Commission and are pending disposition by the Commission. The Regulatory Agenda is updated and issued semiannually.

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While there is theoretical evidence that positrons can bind to atoms, calculations for molecules are much less precise. Unfortunately, there have been no measurements of positron-atom binding, due primarily to the difficulty in forming positron-atom bound states in two-body collisions. In contrast, positrons attach to molecules via Feshbach resonances (VFR) in which a vibrational mode absorbs the excess energy. Using a high-resolution positron beam, this VFR process has been studied to measure binding energies for more than 40 molecules. New measurements will be described in two areas: positron binding to relatively simple molecules, for which theoretical calculations appear to be possible; and positron binding to molecules with large permanent dipole moments, which can be compared to analogous, weakly bound electron-molecule (negative-ion) states. Binding energies range from 75 meV for CS2 (no dipole moment) to 180 meV for acetonitrile (CH3CN). Other species studied include aldehydes and ketones, which have permanent dipole moments in the range 2.5 - 3.0 debye. The measured binding energies are surprisingly large (by a factor of 10 to 100) compared to those for the analogous negative ions, and these differences will be discussed. New theoretical calculations for positron-molecule binding are in progress, and a recent result for acetonitrile will be discussed. This ability to compare theory and experiment represents a significant step in attempts to understand positron binding to matter. In collaboration with A. C. L. Jones, J. J. Gosselin, and C. M. Surko, and supported by NSF grant PHY 07-55809.

The ozone hole that forms in the spring months over the Antarctic is thought to be produced through a network of chemical reactions catalyzed by the surfaces of ice crystals in polar stratospheric clouds (PSCs). A reaction between chlorine reservoir molecules, such as HCl + ClONO{sub 2} > HNO{sub 3} + Cl{sub 2}, is kinetically forbidden in the gas phase but proceeds quickly on the surface of ice and produces Cl{sub 2} molecules that are photodissociated by sunlight to yield the Cl atoms that destroy ozone. This destructive chain of events begins when HCl molecules stick to the ice crystals, and the mechanism for this crucial sticking process has been the subject of much debate. Recent work describes a mechanism that explains how HCl sticks to ice. This article goes on to detail research focusing surface reactions in stratospheric chemistry. 9 refs., 1 fig.

We report the detection toward η Carinae of six new molecules, CO, CN, HCO+, HCN, HNC, and N2H+, and of two of their less abundant isotopic counterparts, 13CO and H13CN. The line profiles are moderately broad (~100 km s-1), indicating that the emission originates in the dense, possibly clumpy, central arcsecond of the Homunculus Nebula. Contrary to previous claims, CO and HCO+ do not appear to be underabundant in η Carinae. On the other hand, molecules containing nitrogen or the 13C isotope of carbon are overabundant by about one order of magnitude. This demonstrates that, together with the dust responsible for the dimming of η Carinae following the Great Eruption, the molecules detected here must have formed in situ out of CNO-processed stellar material.

We report the detection toward {eta} Carinae of six new molecules, CO, CN, HCO{sup +}, HCN, HNC, and N{sub 2}H{sup +}, and of two of their less abundant isotopic counterparts, {sup 13}CO and H{sup 13}CN. The line profiles are moderately broad ({approx}100 km s{sup -1}), indicating that the emission originates in the dense, possibly clumpy, central arcsecond of the Homunculus Nebula. Contrary to previous claims, CO and HCO{sup +} do not appear to be underabundant in {eta} Carinae. On the other hand, molecules containing nitrogen or the {sup 13}C isotope of carbon are overabundant by about one order of magnitude. This demonstrates that, together with the dust responsible for the dimming of {eta} Carinae following the Great Eruption, the molecules detected here must have formed in situ out of CNO-processed stellar material.

This Office of Inspector General Semiannual Report to the Congress covers the period from October 1, 1995, through March 31, 1996. The report summarizes significant audit, inspection, and investigative accomplishments for the reporting period, a large portion of which facilitated Department of Energy management efforts to improve management controls and ensure efficient and effective operation of its programs. A major accomplishment during this period was the completion of financial statement audits for Fiscal Year 1995. Annual financial statement audits are mandated by the Chief Financial Officers Act of 1990. Narratives of our most significant reports are grouped by measures which the Office of Inspector General uses to gauge its performance. The common thread that ties the performance measures together is their emphasis on supporting Department efforts to produce high quality products at the lowest possible cost to the taxpayer. During this reporting period, the Office of Inspector General issued 67 audit and 15 inspection reports. For reports issued during the period, the Office of Inspector General made audit recommendations that, when implemented by management, could result in $134.6 million being put to better use. Management committed to taking corrective actions which the Office of Inspector General estimates will result in a more efficient use of funds totaling $333.2 million. Office of Inspector General investigations led to 6 criminal convictions and 1 pretrial diversion, as well as criminal and civil prosecutions which resulted in fines and recoveries of $10,942,714. The Office of Inspector General also provided 33 investigative referrals to management for recommended positive action.

Individual Neisseria gonorrhoeae colony opacity-associated (Opa) protein variants can bind up to four different carcinoembryonic antigen-related cellular adhesion molecule (CEACAM) receptors. Most human cells encountered by gonococci express a combination of CEACAM receptors, thereby complicating the elucidation of intracellular signaling pathways triggered by individual receptors. Here, we compare the process of bacterial engulfment by a panel of stably transfected HeLa epithelial cell lines expressing each CEACAM receptor in isolation. CEACAM1 and CEACAM3 each contain proteinaceous transmembrane and cytoplasmic domains; however, the processes of neisserial uptake mediated by these receptors differ with respect to their susceptibilities to both tyrosine kinase inhibitors and the actin microfilament-disrupting agent cytochalasin D. Neisserial uptake mediated by glycosylphosphatidylinositol (GPI)-anchored CEACAM5 and CEACAM6 was not significantly affected by any of a broad spectrum of inhibitors tested. However, cleavage of the GPI anchor by phosphatidylinositol-specific phospholipase C reduced bacterial uptake by HeLa cells expressing CEACAM5, consistent with a single zipper-like mechanism of uptake mediated by this receptor. Regardless of the CEACAM receptor expressed, internalized gonococci were effectively killed by a microtubule-dependent process that required acidification of the bacterium-containing phagosome. Given the phase-variable nature of neisserial Opa proteins, these results indicate that the mechanism of bacterial engulfment and the cellular response to gonococcal infection depend on both the receptor specificities of the neisserial Opa protein variants expressed and the spectrum of CEACAM receptors present on target cells, each of which determines the combination of receptors ultimately engaged. PMID:15102784

The successful production of a dense sample of ultracold ground state KRb polar molecules [1] opens the door to a new era of research with dipolar gases and lattices of such species. This feat was achieved by first associating a K and a Rb atom to make a weakly bound Feshbach molecule and then coherently transferring the population to the ground vibrational level of the molecule. This talk focuses on theoretical issues associated with making and using ultracold polar molecules, using KRb as an example [2]. Full understanding of this species and the processes by which it is made requires taking advantage of accurate molecular potentials [3], ab initio calculations [4], and the properties of the long-range potential. A highly accurate model is available for KRb for all bound states below the ground state separated atom limit and could be constructed for other species. The next step is to develop an understanding of the interactions between polar molecules, and their control in the ultracold domain. Understanding long-range interactions and threshold resonances will be crucial for future work. [1] K.-K. Ni, et al, Science 322, 231(2008). [2] P. S. Julienne, arXiv:0812:1233. [3] Pashov et al., Phys. Rev. A76, 022511 (2007). [4] S. Kotochigova, et al., arXiv:0901.1486.

... the Advisory Panel on Ambulatory Payment Classification Groups--August 10, 2011 Through August 12...: Notice. SUMMARY: This notice announces the second semi-annual meeting of the Advisory Panel on Ambulatory... at:...

Scientific styles vary tremendously. For me, research is largely about the unfettered pursuit of novel ideas and experiments that can test multiple ideas in a day, not a year, an approach that I learned from my mentor Julius “Julie” Axelrod. This focus on creative conceptualizations has been my métier since working in the summers during medical school at the National Institutes of Health, during my two years in the Axelrod laboratory, and throughout my forty-five years at Johns Hopkins University School of Medicine. Equally important has been the “high” that emerges from brainstorming with my students. Nothing can compare with the eureka moments when, together, we sense new insights and, better yet, when high-risk, high-payoff experiments succeed. Although I have studied many different questions over the years, a common theme emerges: simple biochemical approaches to understanding molecular messengers, usually small molecules. Equally important has been identifying, purifying, and cloning the messengers' relevant biosynthetic, degradative, or target proteins, at all times seeking potential therapeutic relevance in the form of drugs. In the interests of brevity, this Reflections article is highly selective, and, with a few exceptions, literature citations are only of findings of our laboratory that illustrate notable themes. PMID:21543333

After traumatic injuries to the nervous system, regrowing axons encounter a complex microenvironment where mechanisms that promote regeneration compete with inhibitory processes. Sprouting and axonal regrowth are key components of functional recovery but are often counteracted by inhibitory molecules. This review covers extracellular matrix molecules that support neuron axonal outgrowth. PMID:24195084

In this work, four surfactant-like humic acids (HAs) obtained from garden lignocellulose wastes and kitchen food wastes mixed with garden-lignocellulose wastes, both before and after composting, were tested for surfactant properties and the ability to solubilize tetrachloroethene (PCE). The waste-derived HAs showed good surfactant properties, lowering the water surface tension from 74 mN m(-1) to 45.4 +/- 4.4 mN m(-1), with a critical micelle concentration (CMC) of 1.54 +/- 1.68 g L(-1), which is lower than many synthetic ionic surfactants. CMC was affected by both waste origin and composting processes. The addition of food waste and composting reduced CMC by adding alkyl-C (measured by CP MAS 13C NMR) and N- and S-HA contents (amide molecules), so that a multistep regression was found [CMC = 24.6 - 0.189 alkyl C - 2.64 (N + S); R2 = 0.77, P < 0.10, n = 6]. The four HAs solubilized PCE at the rate of 0.18-0.47 g PCE/g aqueous biosurfactant. These results were much higher than those reported in the literature for a commercial HA (0.026 g/g), but they were in line with those measured in this work for nonionic surfactants such as Tween-80 (0.69 g/g) and Triton X-100 (1.08 g/g). PMID:18505006

A new and novel organic π-conjugated chromophore (named as RCNR) based on fumaronitrile-core acceptor and terminal alkylated bithiophene was designed, synthesized and utilized as an electron-donor material for the solution-processed fabrication of bulk-heterojunction (BHJ) small molecule organic solar cells (SMOSCs). The synthesized organic chromophore exhibited a broad absorption peak near green region and strong emission peak due to the presence of strong electron-withdrawing nature of two nitrile (–CN) groups of fumaronitrile acceptor. The highest occupied molecular orbital (HOMO) energy level of –5.82 eV and the lowest unoccupied molecular orbital (LUMO) energy level of –3.54 eV were estimated for RCNR due to the strong electron-accepting tendency of –CN groups. The fabricated SMOSC devices with RCNR:PC60BM (1:3, w/w) active layer exhibited the reasonable power conversion efficiency (PCE) of ~2.69% with high short-circuit current density (JSC) of ~9.68 mA/cm2 and open circuit voltage (VOC) of ~0.79 V. PMID:26066557

The adsorption dynamics of diatomic molecules on solid surfaces is examined by using a Kinetic Monte Carlo algorithm. Equilibration times at increasing loadings are obtained, and explained based on the elementary processes that lead to the formation of the adsorbed film. The ability of the molecules to change their orientation accelerates the overall uptake and leads to competitive kinetic behaviour between the different orientations. The dependence of the equilibration time on coverage follows the same decreasing trend obtained experimentally for ethane adsorption on closed-end carbon nanotube bundles. The exploration of molecule-molecule interaction effects on this trend provides relevant insights to understand the kinetic behaviour of other species, from simpler molecules to larger polyatomic molecules, adsorbing on surfaces with different binding strength. PMID:24654004

I will report on recent experiments of my group where we have been studying the formation of ultracold diatomic molecules and their subsequent inelastic/reactive collisions. For example, in one of these experiments we investigate collisions of triplet Rb2 molecules in the rovibrational ground state. We observe fast molecular loss and compare the measured loss rates to predictions based on universality. In another set of experiments we investigate the formation of (BaRb)+ molecules after three-body recombination of a single Ba+ ion with two Rb atoms in an ultracold gas of Rb atoms. Our investigations indicate that the formed (BaRb)+ molecules are weakly bound and that several secondary processes take place ranging from photodissociation of the (BaRb)+ molecule to reactive collisions with Rb atoms. I will explain how we can experimentally distinguish these processes and what the typical reaction rates are. Support from the German Research foundation DFG and the European Community is acknowledged.

The middle atmospheric version of the NCAR Community Climate Model (CCM2) has been used to study the development of the equatorial semiannual oscillation (SAO) in the stratosphere. The model domain extends from the ground to about 80 km, with a vertical resolution of 1 km. Transport of nitrous oxide (N2O) with simplified photochemistry is included in the calculation to illustrate the influence of tropical circulations on the distribution of trace species. Diagnosis of model output reveals two distinct phases in the evolution of the zonal mean state on the equator. In early December, a strong and broad easterly jet appears near the stratopause in connection with a midlatitude wave event (sudden stratospheric warming) that reverses the winter westerlies of the Northern Hemisphere throughout the upper stratosphere. When the wave forcing dies out, the radiative drive allows the westerlies to recover at midlatitudes, while easterlies persist in the tropics. The resulting strong meridional gradient of the zonal mean wind provides favorable conditions for the development of inertial instability at lower latitudes. The meridional circulation associated with the instability shapes the 'nose' of the easterly jet, reducing the extension of the unstable region. In equinoctial conditions, a jet of westerlies appears in the lower equatorial mesosphere and descends to lower altitudes; positive accelerations associated with the descending westerlies are due primarily to Kelvin waves. The descent of the westerly jet does not reproduce well the observed behavior of the SAO westerly phase, either in amplitude or in the extent of downward propagation. As a consequence, the model does not simulate the 'double peak' observed in the tropical distribution of N2O. Comparison of wave amplitudes in the model with those derived from satellite observations shows that the calculated amplitudes are larger than observed in the upper stratosphere. It follows that inadequate Kelvin wave forcing is

Understanding the organic chemistry of molecular clouds, particularly the formation of biologically important molecules, is fundamental to the study of the processes which lead to the origin, evolution and distribution of life in the Galaxy. Determining the level of molecular complexity attainable in the clouds, and the nature of the complex organic material available to protostellar disks and the planetary systems that form from them, requires an understanding of the possible chemical pathways and is therefore a central question in astrochemistry. We have thus searched for prebiologically important molecules in the hot molecular cloud cores: Sgr B2(N-LMH), W51 e1/e2 and Orion-KL. Among the molecules searched: Pyrimidine is the unsubstituted ring analogue for three of the DNA and RNA bases. 2H-Azirine and Aziridine are azaheterocyclic compounds. And Glycine is the simplest amino acid. Detections of these interstellar organic molecular species will thus have important implications for Astrobiology. Our preliminary results indicate a tentative detection of interstellar glycine. If confirmed, this will be the first detection of an amino acid in interstellar space and will greatly strengthen the thesis that interstellar organic molecules could have played a pivotal role in the prebiotic chemistry of the early Earth.

Solution-processed small-molecule p-DTS(FBTTh2)2:PC71BM bulk heterojunction (BHJ) solar cells with power conversion efficiency of 8.01% are demonstrated. The fill factor (FF) is sensitive to the thickness of a calcium layer between the BHJ layer and the Al cathode; for 20 nm Ca thickness, the FF is 73%, the highest value reported for an organic solar cell. The maximum external quantum efficiency exceeds 80%. After correcting for the total absorption in the cell through normal incidence reflectance measurements, the internal quantum efficiency approaches 100% in the spectral range of 600-650 nm and well over 80% across the entire spectral range from 400 to 700 nm. Analysis of the current-voltage (J-V) characteristics at various light intensities provides information on the different recombination mechanisms in the BHJ solar cells with different thicknesses of the Ca layer. Our analysis reveals that the J-V curves are dominated by first-order recombination from the short-circuit condition to the maximum power point and evolve to bimolecular recombination in the range of voltage from the maximum power point to the open-circuit condition in the optimized device with a Ca thickness of 20 nm. In addition, the normalized photocurrent density curves reveal that the charge collection probability remains high; about 90% of charges are collected even at the maximum power point. The dominance of bimolecular recombination only when approaching open circuit, the lack of Shockley-Read-Hall recombination at open circuit, and the high charge collection probability (97.6% at the short circuit and constant over wide range of applied voltage) lead to the high fill factor. PMID:23597037

Purpose: ZRBA1 is a combi-molecule designed to induce DNA alkylating lesions and to block epidermal growth factor receptor (EGFR) TK domain. Inasmuch as ZRBA1 downregulates the EGFR TK-mediated antisurvival signaling and induces DNA damage, we postulated that it might be a radiosensitizer. The aim of this study was to further investigate the potentiating effect of ZRBA1 in combination with radiation and to elucidate the possible mechanisms of interaction between these 2 treatment modalities. Methods and Materials: The triple negative human breast MDA-MB-468 cancer cell line and mouse mammary cancer 4T1 cell line were used in this study. Clonogenic assay, Western blot analysis, and DNA damage analysis were performed at multiple time points after treatment. To confirm our in vitro findings, in vivo tumor growth delay assay was performed. Results: Our results show that a combination of ZRBA1 and radiation increases the radiation sensitivity of both cell lines significantly with a dose enhancement factor of 1.56, induces significant numbers of DNA strand breaks, prolongs higher DNA damage up to 24 hours after treatment, and significantly increases tumor growth delay in a syngeneic mouse model. Conclusions: Our data suggest that the higher efficacy of this combination could be partially due to increased DNA damage and delayed DNA repair process and to the inhibition of EGFR. The encouraging results of this combination demonstrated a significant improvement in treatment efficiency and therefore could be applicable in early clinical trial settings.

Double ionization of diatomic molecules by short linearly polarized laser pulses is analyzed. We consider the final stage of the ionization process, that is the decay of a highly excited two electron molecule, which is formed after rescattering. The saddles of the effective adiabatic potential energy close to which simultaneous escape of electrons takes place are identified. Numerical simulations of the ionization of molecules show that the process can be dominated by either sequential or nonsequential events. In order to increase the ratio of nonsequential to sequential ionizations very short laser pulses should be applied.

This Office of Inspector General Semiannual Report to the Congress covers the period from October 1, 1996, through March 31, 1997. The report summarizes significant audit, inspection, and investigative accomplishments for the reporting period which facilitated Department of Energy management efforts to improve management controls and ensure efficient and effective operation of its programs. Narratives of the most significant reports are grouped by measures which the Office of Inspector General uses to gauge its performance. The common thread that ties the performance measures together is their emphasis on supporting Department efforts to produce high quality products at the lowest possible cost to the taxpayer. Five such performance measures were used during this semiannual period to present outcomes of Office of Inspector General work in terms of improvements in Department programs and operations.

of Schumann resonance signatures in the equatorial ionosphere offers remote sensing capabilities for the investigation of tropospheric and space weather effects in the ionosphere. Schumann resonances are electromagnetic oscillations in the earth-ionosphere cavity produced by lightning activity. Analysis of AC electric field measurements gathered by the Communications/Navigation Outage Forecasting System satellite reveals a semiannual pattern in Schumann resonance data recorded during nighttime in the equatorial ionosphere. This pattern observed in the Schumann resonance amplitude is expected to help validate—or at least constrain—potential mechanisms proposed to explain the semiannual oscillation observed in different geophysical records, such as those reported in a variety of tropospheric, ionospheric/thermospheric, and magnetospheric observations.

This is the first semi-annual progress report for the program "Integrated High Temperature Coal to Hydrogen System with CO2 Separation." The objective of the program is to develop a detailed design for a single high-temperature syngas-cleanup module to produce a pure stream of H2 from a coal-based system and to develop the new high-temperature membrane materials at the core of that design. The novel one-box process combines a shift reactor with a high-temperature CO2-selective membrane to convert CO to CO2, remove sulfur compounds, and remove CO2 in a simple, compact, fully integrated system. In the first six months of the program, a conceptual design for the one-box system was developed in Task 1 and the performance targets for the system and the membrane were evaluated. In Task 2.1 processes were developed for creating pore architectures in ceramics that are applicable to membrane structures. In Task 2.2, candidate materials were identified that have the potential for separation of CO2 and H2S at high temperatures.

The analysis of the monthly numbers of Electron Precipitation Events (EPEs) recorded at Olenya station (Murmansk region) during 1970-1987, shows the semiannual variation with two maxima centered on April and September. We analyse the interplanetary plasma and geomagnetic indices data sets associated with the EPEs recorded. The possible relationship of this variation and RusselMcPherron, Equino ctial and Axial effects is discussed.

This document is the Semi-Annual Report of the National Institute for Global Environmental Change for the reporting period July 1 to December 31, 1991. The report is in two parts. Part I presents the mission of the Institute, examples of progress toward that mission, a brief description of the revised management plan, and the financial report. Part II presents the statements of the Regional Center Directors along with progress reports of the projects written by the researchers themselves.

A novel method for the detection and identification of single molecules in solution has been devised, computer simulated, and experimentally achieved. The technique involves the determination of electrophoretic velocities by measuring the time required for individual molecules to travel a fixed distance between two laser beams. Computer simulations of the process were performed before-hand in order to estimate the experimental feasibility of the method and to determine the optimum values for the various experimental parameters. Examples of the use of the technique for the ultrasensitive detection and identification of rhodamine-6G, a mixture of DNA restriction fragments, and a mixture of proteins in aqueous solution are presented. 20 refs., 8 figs.

I will discuss experiments in which we study the creation of ^40K^87Rb Feshbach molecules via magnetoassociation. We measure the molecule number as a function of the magnetic-field sweep rate through the interspecies Feshbach resonance and explore the dependence of association on the initial atom gas conditions. This study of the Feshbach molecule creation process may be relevant to the production of ultracold polar molecules, where magnetoassociated Feshbach molecules can be a crucial first step [1].[4pt] [1] K.-K. Ni, S. Ospelkaus, M. H. G. de Miranda, A. Peer, B. Neyenhuis, J. J. Zirbel, S. Kotochigova, P. S. Julienne, D. S. Jin, and J. Ye, Science, 2008, 322, 231- 235.

I will discuss experiments in which we study the creation of ^40K^87Rb Feshbach molecules via magnetoassociation. We measure the molecule number as a function of the magnetic-field sweep rate through the interspecies Feshbach resonance and explore the dependence of association on the initial atom gas conditions. This study of the Feshbach molecule creation process may be relevant to the production of ultracold polar molecules, where magnetoassociated Feshbach molecules can be a crucial first step [1].[4pt] [1] K.-K. Ni, S. Ospelkaus, M. H. G. de Miranda, A. Peer, B. Neyenhuis, J. J. Zirbel, S. Kotochigova, P. S. Julienne, D. S. Jin, and J. Ye, Science, 2008, 322, 231-235.

Based on the UK MetOffice gridded analysis in the altitudes from the tropopause to the mesopause of the Northern Hemisphere and the meteor radar observations in the mesosphere/lower thermosphere over Kazan (56 °N 49 °E) and Collm (51 °N 13 °E), the annual and semiannual harmonics of the horizontal wind components in the stratosphere, mesosphere, and lower thermosphere are studied for the period 2004-2013. The maxima of the amplitude of the annual harmonics of zonal wind are much more pronounced than the respective maxima for meridional wind. In contrast, the magnitudes of the maxima of the semiannual harmonics are comparable between zonal and meridional wind. The annual harmonics of horizontal wind in the studied layer typically reaches maximum in January-February. The semiannual harmonics of the components of horizontal wind in the stratosphere-lower thermosphere layer basically attains it first maximum in spring or in early summer. The results, included in the present paper, may be used for climate models validation.

The Hanford Site Air Operating Permit (AOP), Number 00-05-006, became effective on July 2, 2001. One condition contained in the AOP, ''Standard Terms and Conditions'', Section 4.3.3, is the requirement to submit semiannual reports by March 15th and September 15th each year, which are certified for truth, accuracy, and completeness by a Responsible Official. This semiannual report contains information from July 1, 2004 through December 31, 2004. Copies of semiannual reports are transmitted to the Washington State Department of Ecology (Ecology). the Washington State Department of Health (WDOH), the Benton Clean Air Authority (BCAA), and the US Environmental Protection Agency (EPA), Region 10. For the applicable reporting period, AOP, ''Standard Terms and Conditions'', Section 4.3.3, as amended in August 2002 and December 2002, identifies the following. (1) Each semiannual report will provide a reference to deviation reports submitted to the regulatory agencies as required by Section 4.5. ''Permit Deviation Reporting''. (2) Each semiannual report will consist of reports of any required monitoring not submitted previously to the agencies or a reference to reports of required monitoring submitted during the reporting period. (3) Each semiannual report will contain a summary of any substantiated air emission complaint investigation(s) required in Table 1.2 of AOP, Attachment 1, and issued during the reporting period. (4) For all minor radioactive emission points (potential to emit <0.1 mrem to the maximally exposed individual) listed in AOP, Attachment 2. Tables 1.2. 1.3, and 2.1, each semiannual report will confirm that any required monitoring was conducted to verify low emissions during the reporting period. Data derived from that monitoring will be reported in the Annual National Emission Standards for Hazardous Air Pollutants (NESHAP) Report (AOP, ''Standard Terms and Conditions'', Section 4.3.1). AOP requirement is for annual monitoring (e.g., four 1 week samples

A structure-device performance correlation in bulk heterojunction solar cells for new indandione-derived small molecule electron acceptors, FEHIDT and F8IDT, is presented. Devices based on the former exhibit higher power conversion efficiency (2.4%) and higher open circuit voltage, a finding consistent with reduced intermolecular interactions. PMID:23739171

The aim of this project was to record time-resolved electron diffraction patterns of aligned molecules and to reconstruct the 3D molecular structure. The molecules are aligned non-adiabatically using a femtosecond laser pulse. A femtosecond electron pulse then records a diffraction pattern while the molecules are aligned. The diffraction patterns are then be processed to obtain the molecular structure.

Small molecules containing an oligothiophene backbone are simple but effective donor materials for organic solar cells (OSCs). In this work, we incorporated rigid 2,2'-bithiophene (BT) or fluorinated 2,2'-bithiophene (FBT) as the central unit and synthesized two novel small molecules (TTH-D3TRh and TTF-D3TRh) with an oligothiophene backbone and 3-ethylrhodanine end groups. Both molecules exhibit good thermal stability as well as strong and broad absorption. The fluorination of the BT central unit made TTF-D3TRh possess a relatively lower-lying HOMO energy level, better molecular stacking, and higher mobility in comparison with those of TTH-D3TRh. Conventional OSCs were fabricated to evaluate the photovoltaic property of these two molecules. Without extra post-treatments, the conventional devices based on TTH-D3TRh and TTF-D3TRh showed high PCEs of 5.00 and 5.80%, respectively. The TTF-D3TRh device exhibited a higher performance, which can be attributed to the improved Voc of 0.92 V, Jsc of 10.04 mA cm(-2), and FF of 62.8%. Using an inverted device structure, the OSCs based on TTH-D3TRh and TTF-D3TRh showed largely elevated PCEs of 5.89 and 7.14%, respectively. The results indicated that the structurally simple TTH-D3TRh and TTF-D3TR molecules are potential donor candidates for achieving highly efficient OSCs. The strategy of fluorination and rigidity designation is an effective approach to develop oligothiophene-based small molecular donors for highly efficient solar cell applications. PMID:27097642

Asphalthenes are typically defined as the fraction of petroleum insoluble in n-alkanes (typically heptane, but also hexane or pentane) but soluble in toluene. This fraction causes problems of emulsion formation and deposition/precipitation during crude oil production, processing and transport. From the definition it follows that asphaltenes are not a homogeneous fraction but is composed of molecules polydisperse in molecular weight, structure and functionalities. Their complexity makes the understanding of their properties difficult. Proper model molecules with well-defined structures which can resemble the properties of real asphaltenes can help to improve this understanding. Over the last ten years different research groups have proposed different asphaltene model molecules and studied them to determine how well they can mimic the properties of asphaltenes and determine the mechanisms behind the properties of asphaltenes. This article reviews the properties of the different classes of model compounds proposed and present their properties by comparison with fractionated asphaltenes. After presenting the interest of developing model asphaltenes, the composition and properties of asphaltenes are presented, followed by the presentation of approaches and accomplishments of different schools working on asphaltene model compounds. The presentation of bulk and interfacial properties of perylene-based model asphaltene compounds developed by Sjöblom et al. is the subject of the next part. Finally the emulsion-stabilization properties of fractionated asphaltenes and model asphaltene compounds is presented and discussed. PMID:25638443

The epithelial cell adhesion molecule (EpCAM, CD326) is a glycoprotein of ∼40 kd that was originally identified as a marker for carcinoma, attributable to its high expression on rapidly proliferating tumors of epithelial origin. Normal epithelia express EpCAM at a variable but generally lower level than carcinoma cells. In early studies, EpCAM was proposed to be a cell-cell adhesion molecule. However, recent insights revealed a more versatile role for EpCAM that is not limited only to cell adhesion but includes diverse processes such as signaling, cell migration, proliferation, and differentiation. Cell surface expression of EpCAM may actually prevent cell-cell adhesion. Here, we provide a comprehensive review of the current knowledge on EpCAM biology in relation to other cell adhesion molecules. We discuss the implications of the newly identified functions of EpCAM in view of its prognostic relevance in carcinoma, inflammatory pathophysiology, and tissue development and regeneration as well as its role in normal epithelial homeostasis. PMID:17600130

The behavior of a number of solar wind, radiation belt, auroral and geomagnetic parameters is examined during the recent extended solar minimum and previous solar cycles, covering the period from January 1972 to July 2010. This period includes most of the solar minimum between Cycles 23 and 24, which was more extended than recent solar minima, with historically low values of most of these parameters in 2009. Solar rotational periodicities from S to 27 days were found from daily averages over 81 days for the parameters. There were very strong 9-day periodicities in many variables in 2005 -2008, triggered by recurring corotating high-speed streams (HSS). All rotational amplitudes were relatively large in the descending and early minimum phases of the solar cycle, when HSS are the predominant solar wind structures. There were minima in the amplitudes of all solar rotational periodicities near the end of each solar minimum, as well as at the start of the reversal of the solar magnetic field polarity at solar maximum (approx.1980, approx.1990, and approx. 2001) when the occurrence frequency of HSS is relatively low. Semiannual equinoctial periodicities, which were relatively strong in the 1995-1997 solar minimum, were found to be primarily the result of the changing amplitudes of the 13.5- and 27-day periodicities, where 13.5-day amplitudes were better correlated with heliospheric daily observations and 27-day amplitudes correlated better with Earth-based daily observations. The equinoctial rotational amplitudes of the Earth-based parameters were probably enhanced by a combination of the Russell-McPherron effect and a reduction in the solar wind-magnetosphere coupling efficiency during solstices. The rotational amplitudes were cross-correlated with each other, where the 27 -day amplitudes showed some of the weakest cross-correlations. The rotational amplitudes of the > 2 MeV radiation belt electron number fluxes were progressively weaker from 27- to 5-day periods

Single molecule optical trapping assays have now been applied to a great number of macromolecular systems including DNA, RNA, cargo motors, restriction enzymes, DNA helicases, chromosome remodelers, DNA polymerases and both viral and bacterial RNA polymerases. The advantages of the technique are the ability to observe dynamic, unsynchronized molecular processes, to determine the distributions of experimental quantities and to apply force to the system while monitoring the response over time. Here, we describe the application of these powerful techniques to study the dynamics of transcription elongation by RNA polymerase II from Saccharomyces cerevisiae. PMID:19426807

Absolute measurements of charge-exchange cross sections of H+,H2+,H3+,He+, and He2+ ions in CO and CO2 have been made for energies below 1000 eV, an equivalent of the energy of ionized particles at typical solar-wind conditions. An attenuation method for the case of complex ions of a molecule, taking into account the influence on the ion beam composition of the processes of disintegration of the primary ions into secondary ones with different charge-exchange cross sections, is described. Also the secondary effects, like three-body collisions and re-ionization processes that could emerge at higher pressures of the gas layer, are discussed. Dependence of the cross sections on the number of atomic centers in the projectile have been explained on the basis of the energy defect of the reactions and asymmetric near-resonant charge-exchange process between the ion and target molecule including the Doppler broadening in the interaction of the monoenergetic ion beam and target molecules having an isotropic Maxwellian velocity distribution corresponding to room temperature. Using the semiempirical approach based on the parametrized numerical coupled-channel two-state calculations, we have extrapolated the cross sections to a broader range of velocities.

The gain dynamics in the active medium of an overtone CO laser operating on the transitions between high vibrational levels is studied experimentally and theoretically. The gain dynamics is measured on the vibration - rotation transitions of the CO molecule [the P(12) spectral line in the vibrational bands from 20 {yields} 18 to 36 {yields} 34] in CO - He and CO - N{sub 2} laser mixtures. The maximum small-signal gain was 0.43 m{sup -1}. The theoretical model of the CO laser was significantly improved. It was shown that multiquantum and asymmetric VV-exchange processes should be included in the analysis of the population dynamics of high vibrational levels of the CO molecule. (lasers)

This semiannual technical progress report is for the period 1 March 1989 through 31 August 1989. This National Council on Radiation Protection and Measurements (NCRP) program is designed to provide recommendations for radiation protection based on scientific principles. During this period several reports were published covering the topics of occupational radiation exposure, medical exposure, radon control, dosimetry, and radiation protection standards. Accomplishments of various committees are also reported; including the committees on dental x-ray protection, radiation safety in uranium mining and milling, ALARA, instrumentation, records maintenance, occupational exposures of medical personnel, emergency planning, and others. (SM)

This is the twenty-sixth in a series of semiannual technical progress reports on fusion materials. This report combines the full spectrum of research and development activities on both metallic and non-metallic materials with primary emphasis on the effects of the neutronic and chemical environment on the properties and performance of materials for in-vessel components. This effort forms one element of the materials program being conducted in support of the Fusion Energy Sciences Program of the US Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and its reported separately.

The Decade 80 solar house, located in Tucson, Arizona, was built to show the use of copper in home building and to demonstrate the use of solar energy to provide space heating and cooling and domestic hot water. The auxiliary energy sources are electrical resistance heating for the domestic hot water and a gas fired boiler for space heating and operation of the absorption air conditioning units. The Semi-Annual report gives an overview of the instrumentation effort with the back-up monthly reports reflecting more detail of the effort that went into the implementation of the data acquisition system.

The objective of the semiannual progress report is to summarize the technical results obtained during the latest reporting period. The information presented herein will include evaluated test data, design evaluations, the results of analyses and the significance of results. The program objective is to demonstrate the technology readiness of a TFE suitable for use as the basic element in a thermionic reactor with electric power output in the 0.5 to 5.0 MW(e) range, and a full-power life of 7 years. 55 figs., 30 tabs.

This is the twenty-fourth in a series of semiannual technical progress reports on fusion materials. This report combines the full spectrum of research and development activities on both metallic and non-metallic materials with primary emphasis on the effects of the neutronic and chemical environment on the properties and performance of materials for in-vessel components. This effort forms one element of the materials program being conducted in support of the Fusion Energy Sciences Program of the US Department of Energy. Selected papers have been indexed separately for inclusion in the Energy Science and Technology Database.

This is the fourteenth in a series of semiannual technical progress reports on fusion reactor materials. These activities are concerned principally with the effects of the neutronic and chemical environment on the properties and performance of reactor materials; together they form one element of the overall materials programs being conducted in support of the Magnetic Fusion Energy Program of the US Depart of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately. Separate abstracts were prepared for each individual section.

This is the twenty-fifth in a series of semiannual technical progress reports on fusion materials. This report combines the full spectrum of research and development activities on both metallic and non-metallic materials with primary emphasis on the effects of the neutronic and chemical environment on the properties and performance of materials for in-vessel components. This effort forms one element of the materials program being conducted in support of the Fusion Energy Sciences Program of the U.S. Department of Energy. The other major element of the program is concerned with the interactions between reactor materials and the plasma and is reported separately.

The objective of the semiannual progress report is to summarize the technical results obtained during the latest reporting period. The information presented herein will include evaluated test data, design evaluations, the results of analyses and the significance of results. The program objective is to demonstrate the technology readiness of a Thermionic Fuel Element suitable for use as the basic element in a thermionic reactor with electric power output in the 0.5 to 5.0 MW(e) range, and a full-power life of 7 years. 14 refs., 107 figs., 35 tabs.

This is the second in a series of semiannual technical progress reports on fusion reactor materials. This report combines research and development activities in the following areas: (1) Alloy Development for Irradiation Performance; (2) Damage Analysis and Fundamental Studies; and (3) Special Purpose Materials. These activities are concerned principally with the effects of the neutronic and chemical environment on the properties and performance of reactor materials; together they form one element of the overall materials program being conducted in support of the Magnetic Fusion Energy Program of the US Department of Energy. Separate analytics were prepared for the reports in this volume.

This report constitutes the semiannual report of the Air Force/Defense Advanced Research Project Agency research program in quantitative nondestructive evaluation covering the period October 1, 1981 to March 31, 1982. It is organized by projects, each of which contains the reports of individual investigations. Because the goals of the projects are largely such that strong interdisciplinary interactions are necessary in order to achieve them, the individual reports reflect a close cooperation between various investigators. Projects included in this year's effort are: application of ultrasonic QNDE to RFC window problems; electromagnetic detection and sizing; new technical opportunities; and new flaw detection techniques. Twenty-three project reports are presented.

The program objective is to demonstrate the technology readiness of a TFE suitable for use as the basic element in a thermionic reactor with electric power output in the 0.5 to 5.0 MW(e) range, and full-power life of 7 years. The objective of the semiannual progress report is to summarize the technical results obtained during the latest reporting period. The information presented in this paper will include evaluated test data, design evaluations, the results of analyses and the significance of results.

ApcE(1-240) dimers with one intrinsic phycocyanobilin (PCB) chromophore in each monomer that is truncated from the core-membrane linker (ApcE) of phycobilisomes (PBS) in Nostoc sp. PCC 7120 show a sharp and significantly red-shifted absorption. Two explanations either conformation-dependent Förster resonance energy transfer (FRET) or the strong exciton coupling limit have been proposed for red-shifted absorption. This is a classic example of the special pair in the photosynthetic light harvesting proteins, but the mechanism of this interaction is still a matter of intense debate. We report the studies using single-molecule and transient absorption spectra on the interaction in the special pair of ApcE dimers. Our results demonstrate the presence of conformation-dependent FRET between the two PCB chromophores in ApcE dimers. The broad distributions of fluorescence intensities, lifetimes and polarization difference from single-molecule measurements reveal the heterogeneity of local protein-pigment environments in ApcE dimers, where the same molecular structures but different protein environments are the main reason for the two PCB chromophores with different spectral properties. The excitation energy transfer rate between the donor and the acceptor about (110 ps)(-1) is determined from transient absorption measurements. The red-shifted absorption in ApcE dimers could result from more extending conformation, which shows another type of absorption redshift that does not depend on strong exciton coupling. The results here stress the importance of conformation-controlled spectral properties of the chemically identical chromophores, which could be a general feature to control energy/electron transfer, widely existing in the light harvesting complexes. PMID:25925197

Energetic materials store a large amount of chemical energy that can be readily converted into mechanical energy via decomposition. A number of different ignition processes such as sparks, shocks, heat, or arcs can initiate the excited electronic state decomposition of energetic materials. Experiments have demonstrated the essential role of excited electronic state decomposition in the energy conversion process. A full understanding of the mechanisms for the decomposition of energetic materials from excited electronic states will require the investigation and analysis of the specific topography of the excited electronic potential energy surfaces (PESs) of these molecules. The crossing of multidimensional electronic PESs creates a funnel-like topography, known as conical intersections (CIs). CIs are well established as a controlling factor in the excited electronic state decomposition of polyatomic molecules. This Account summarizes our current understanding of the nonadiabatic unimolecular chemistry of energetic materials through CIs and presents the essential role of CIs in the determination of decomposition pathways of these energetic systems. Because of the involvement of more than one PES, a decomposition process involving CIs is an electronically nonadiabatic mechanism. Based on our experimental observations and theoretical calculations, we find that a nonadiabatic reaction through CIs dominates the initial decomposition process of energetic materials from excited electronic states. Although the nonadiabatic behavior of some polyatomic molecules has been well studied, the role of nonadiabatic reactions in the excited electronic state decomposition of energetic molecules has not been well investigated. We use both nanosecond energy-resolved and femtosecond time-resolved spectroscopic techniques to determine the decomposition mechanism and dynamics of energetic species experimentally. Subsequently, we employ multiconfigurational methodologies (such as, CASSCF

This report presents a summary of the definitive data validation and verification for the 1998 semiannual tritium surveys for Fourmile Branch and the F- and H-Area Seeplines. The project was performed under the direction of WSRC EAS/Ecology. This report was prepared under the direction of EPD/EMS.

Hourly values of the F2-layer peak density, NmF2, measured by 99 ionosonde stations near noon from 1957 to 2010 at low and middle geomagnetic latitudes of the northern and southern geographic hemispheres are used in a statistical study of the F2-region semi-annual anomaly. The equinox/winter and equinox/summer geomagnetically quiet NmF2 ratios, X and Y, taken near noon over each ionosonde for approximately the same winter, equinox, and summer solar activity conditions are analyzed. The conditional probabilities of occurrences of X and Y in intervals of X and Y, the most frequent values of X and Y, the mean expected values of X and Y, and the conditional probability to observe the F2-region semi-annual anomaly are calculated and studied for the fist time for low, moderate, and high solar activity conditions. These statistical parameters are averaged over 5° geomagnetic latitude interval in the northern and southern geographic hemispheres, and the trends in these averaged statistical characteristics of the NmF2 semi-annual anomaly are calculated and studied for the fist time. It is shown that the median approach can produce the incorrect conclusions about the absence of the NmF2 semi-annual anomaly.

Included in the transcript of this semiannual meeting of the Assocation of Research Libraries (ARL) are the following: (1) papers by Sharon Hogan on the definition of data in an online environment, by John Black on ways of communicating data, and by Peter Wolters on data sharing and library networking in the United States and Canada; (2) a record…

This report presents a summary of the definitive data validation and verification for the Semiannual Tritium Survey for Fourmile Branch and the F- and H-Area Seeplines. The survey was performed at the request of the WSRC ERD and conducted by WSRC/ESS. This report was prepared under the direction of EPD/EMS.

This monograph is the third in a series of semiannual reports of research related to reading in secondary schools. The first section of the monograph is made up of three research studies on the validation of teaching procedures to facilitate students' comprehension of content area texts, the graph-reading abilities of seventh grade students, and a…

This set of minutes from a semiannual meeting of the Association of Research Libraries (ARL) includes three presentations: "The Economics of Document Delivery" by Donald B. Simpson, "Electronic Journal Publishing and Libraries" by Jay K. Lucker, and "Policies and Controversies" by Hugh C. Atkinson. Atkinson reviews copyright issues,…

In recent years the possibility has been considered to build 'biochip' computers, in which the silicon transistors of present machines would be replaced by large organic molecules or genetically engineered proteins. Two major advantages of such biochips over current devices would be related to vastly increased densities of computing elements, and entirely new styles of data processing, suited to such high-level tasks as pattern recognition and context-dependent analysis. The limitations of the semiconductor chip with respect to the density of elementary units due to size considerations and heat development could be overcome by making use of molecular switches. Attention is given to soliton switching, soliton logic, bulk molecular devices, analog biochips, 'intelligent' switches based on the employment of enzymes, robot vision, questions of biochip fabrication, protein engineering, and a strategy for the development of biochips.

The annual/semiannual behaviour of montly mean IMF Bz component as well as the number of hours spent by the Earth in domains of either positive or negative GSE/GSM By component were studied in the case of geoeffective (Kp>3) CMEs. The consecutive solar dipole cycles were separated, and definite differences were found between the annual variations of the mean values. When the solar dipole is opposite to the terrestrial one, the manifestation of the Russell-McPherron effect in the annual variation of mean GSM Bz is weak because there are strong inverse annual variations in the GSE system. However, the Russell-McPherron effect can be detected in the occurrence of the negative and positive By values. The case is opposite in those years when the solar and terrestrial dipoles are parallel: the Russell-McPherron effect is well detectable in the opposite annual variations of the mean GSM Bz but the occurrence of By directions shows polarity-independent semiannual variation.

The objective of the Surface Gasification Materials Program is to conduct research and development on materials for application to the specific needs of coal gasification systems. The Program is divided into two subprograms: (1) the Gasification Systems Fabrication Technology Program and (2) the Materials Application and Development Program. The purpose of the Gasification Systems Fabrication Technology Program is to evaluate innovative fabrication methods which have the potential to lower costs and improve reliability and safety for gasifier vessels and components. The purpose of the Materials Application and Development Program is to conduct engineering-scale development and application of materials for coal gasification systems to ensure that the materials of construction for pilot plants and future large-scale plants can be properly selected and specified. The management of materials projects in support of surface gasification sponsored by the Headquarters DOE Gasification Division has been defined in an April 16, 1982 METC-sponsored agreement transmitted to DOE field offices and performing contractors. This agreement recognizes the lead role in fossil energy materials delegated by METC to the DOE Oak Ridge Operations Office and the Oak Ridge National Laboratory. The ORNL Fossil Energy Materials Program Office compiles and issues this combined semiannual progress report from camera-ready copies submitted by each of the participating organizations. Distribution is as shown on pages 59 to 63. Future reports will be issued on a semiannual basis to a similar distribution.

Employing the methods of linear absorption spectroscopy and nonlinear four-wave mixing spectroscopy using laserinduced gratings we have simultaneously measured the local concentrations of H{sub 2}O molecules and the gas temperature in the process of the H{sub 2} - O{sub 2} mixture heating. During the measurements of the deactivation rates of pulsed-laser excited singlet oxygen O{sub 2} (b {sup 1}{Sigma}{sup +}{sub g}) in collisions with H{sub 2} in the range 294 - 850 K, the joint use of the two methods made it possible to determine the degree of hydrogen oxidation at a given temperature. As the mixture is heated, H{sub 2}O molecules are formed by 'dark' reactions of H{sub 2} with O{sub 2} in the ground state. The experiments have shown that the measurements of tunable diode laser radiation absorption along an optical path through the inhomogeneously heated gas mixture in a cell allows high-accuracy determination of the local H{sub 2}O concentration in the O{sub 2} laser excitation volume, if the gas temperature in this volume is known. When studying the collisional deactivation of O{sub 2} (b {sup 1}{Sigma}{sup +}{sub g}) molecules, the necessary measurements of the local temperature can be implemented using laser-induced gratings, arising due to spatially periodic excitation of O{sub 2} (X{sup 3}{Sigma}{sup -}{sub g}) molecules to the b {sup 1}{Sigma}{sup +}{sub g} state by radiation of the pump laser of the four-wave mixing spectrometer. (laser spectroscopy)

We studied the photoluminescence proprieties of bis(2-methyl-8-quinolinato)-4-phenylphenolate aluminum (BAlq) thin films doped with fac tris(2-phenylpyridine) iridium [Ir(ppy)3] over a wide temperature range from 8 to 295 K. The efficient Förster and Dexter energy transfers between the fluorescent BAlq molecule and the phosphorescent Ir(ppy)3 one enabled us to observe strong yellow phosphorescence from BAlq, where Ir(ppy)3 plays an important role as a phosphorescent sensitizer for BAlq. It was found that BAlq acts not only as a donor but also as an acceptor in the energy transfer between BAlq and Ir(ppy)3. The triplet energy of BAlq was estimated to be 2.18 eV from the highest energy peak of the phosphorescence spectra, and the phosphorescence lifetime was 16 ms at 8 K. Furthermore, it was revealed from the temperature dependence of the photoluminescence intensity that the triplet-excited states in BAlq are in thermal equilibrium with those in Ir(ppy)3 at temperatures above ~200 K in the BAlq:Ir(ppy)3 system.

Polyclic aromatic hydrocarbons also called Graphene Molecules (GMs), with chemical composition C132H36(COOH)2 were synthesized in situ on the surface of transparent nanocrystalline indium tin oxide (nc-ITO) electrodes and their electronic structure was studied electrochemically and spectro-electrochemically. Variations in the potential applied onto the nc-ITO/GM electrodes induce only small changes in the observed current, but they produce dramatic changes in the absorption of the GMs, which are associated with their oxidation and reduction. Analysis of the absorption changes using a modified Nernst equation is used to determine standard potentials associated with the individual charge transfer processes. For the GMs prepared here, these were found to be E1,ox(0) = 0.77 ± 0.01 V and E2,ox(0) = 1.24 ± 0.02 V vs NHE for the first and second oxidation and E1,red(0) = -1.50 ± 0.04 V for the first reduction. The charge transfer processes are found to be nonideal. The nonideality factors associated with the oxidation and reduction processes are attributed to strong interactions between the GM redox centers. Under the conditions of potential cycling, GMs show rapid (seconds) color change with high contrast and stability. An electrochromic application is demonstrated wherein the GMs are used as the optically active component. PMID:25768313

Polyclic aromatic hydrocarbons, also called Graphene Molecules (GMs), with chemical composition C132H36(COOH)2 were synthesized in-situ on the surface of transparent nanocrystaline indium tin oxide (nc-ITO) electrodes. Their electronic structure was studied electrochemically and spectro-electrochemically. Variations in the potential applied onto the nc-ITO/GM electrodes induce only small changes in the observed current but they produce dramatic changes in the absorption of the GMs, which are associated with their oxidation and reduction. Analysis of the absorption changes using modified Nernst equation is used to determine standard potentials associated with the individual charge transfer processes. For the GMs prepared here these were foundmore » to be E1,ox 0 = 0.77± 0.01 V and E2,ox 0 = 1.24 ± 0.02 V vs. NHE for the first and second oxidation and E1,red 0 = -1.50 ± 0.04 V for the first reduction. The charge transfer processes are found to be non-ideal. The non-ideality factors associated with the oxidation and reduction processes suggest presence of strong interactions between the GM redox centers. Under the conditions of potential cycling GMs show rapid (seconds) color change with high contrast and stability. An electrochromic application is demonstrated wherein the GMs are used as the optically active component.« less

We propose to visualize the initial stages of bacterial infection of a human host cell with unmatched spatial and temporal resolution. This work will develop a new capability for the laboratory (super-resolution optical imaging), will test unresolved scientific hypotheses regarding host-pathogen interaction dynamics, and leverages state of the art 3D molecular tracking instrumentation developed recently by our group. There is much to be gained by applying new single molecule tools to the important and familiar problem of pathogen entry into a host cell. For example, conventional fluorescence microscopy has identified key host receptors, such as CD44 and {alpha}5{beta}1 integrin, that aggregate near the site of Salmonella typhimurium infection of human cells. However, due to the small size of the bacteria ({approx} 2 {micro}m) and the diffraction of the emitted light, one just sees a fluorescent 'blob' of host receptors that aggregate at the site of attachment, making it difficult to determine the exact number of receptors present or whether there is any particular spatial arrangement of the receptors that facilitates bacterial adhesion/entry. Using newly developed single molecule based super-resolution imaging methods, we will visualize how host receptors are directed to the site of pathogen adhesion and whether host receptors adopt a specific spatial arrangement for successful infection. Furthermore, we will employ our 3D molecular tracking methods to follow the injection of virulence proteins, or effectors, into the host cell by the pathogen Type III secretion system (TTSS). We expect these studies to provide mechanistic insights into the early events of pathogen infection that have here-to-fore been technically beyond our reach. Our Research Goals are: Goal 1--Construct a super-resolution fluorescence microscope and use this new capability to image the spatial distribution of different host receptors (e.g. CD44, as {alpha}5{beta}1 integrin) at the point of

The fluoresence throughout the VUV and violet regions has been observed from photoexcitation of SO2, and the absolute fluorescence cross sections of the VUV emissions have been measured at selected atomic emission lines and in the synchrotron radiation continuum from 550 to 760 A. Emissions from the O I 1304 A and several S I lines account for the fluorescence observed in the VUV region, while the fluorescence observed in the UV and violet regions is due to excited SO and, also, possibly to excited SO2(+) and SO(+). Structure in the VUV fluorescence excitation function is attributed to predissociation of Rydberg states. The VUV fluorescence resulting from an O2 elimination process, SO2 + h times nu yielding metastable S + O2, has been observed in the present work although the threshold for this process has not been determined. The threshold corresponding to the total dissociation process, SO2 + h times nu yielding metastable S + 2O, has been measured and found to agree reasonably with the expected value calculated from thermochemical data. The processes for the formation of S(+) are also discussed.

This document reports the technical accomplishments on the HTGR Generic Technology Program at General Atomic during the first half of FY-80. It covers a period when the design direction of the National HTGR Program is in the process of an overall review. The HTGR Generic Technology Program activities have continued so as to provide the basic technology required for all HTGR applications. The activities include the need to develop an MEU fuel and the need to qualify materials and components for the higher temperatures of the gas turbine and process heat plants.

This report is based largely on presentations and discussions at two workshops and contributions from workshop participants. The workshop on Fundamental Challenges in Electron-Driven Chemistry was held in Berkeley, October 9-10, 1998, and addressed questions regarding theory, computation, and simulation. The workshop on Electron-Driven Processes: Scientific Challenges and Technological Opportunities was held at Stevens Institute of Technology, March 16-17, 2000, and focused largely on experiments. Electron-molecule and electron-atom collisions initiate and drive almost all the relevant chemical processes associated with radiation chemistry, environmental chemistry, stability of waste repositories, plasma-enhanced chemical vapor deposition, plasma processing of materials for microelectronic devices and other applications, and novel light sources for research purposes (e.g. excimer lamps in the extreme ultraviolet) and in everyday lighting applications. The life sciences are a rapidly advancing field where the important role of electron-driven processes is only now beginning to be recognized. Many of the applications of electron-initiated chemical processes require results in the near term. A large-scale, multidisciplinary and collaborative effort should be mounted to solve these problems in a timely way so that their solution will have the needed impact on the urgent questions of understanding the physico-chemical processes initiated and driven by electron interactions.

Point focus and line focus distributed receiver solar thermal technology for the production of electric power and of industrial process heat is addressed. Concentrator, receiver, and power conversion development are covered along with hardware tests and evaluation. Mass production costing, parabolic dish applications, and trough and bowl systems are included.

We report a set of experiments aimed at the production and trapping of ultracold polar molecules. We begin with samples of laser-cooled and trapped Rb and Cs atoms, and bind them together to form polar RbCs molecules. The binding is accomplished via photoassociation, which uses a laser to catalyze the sticking process. We report results from investigation of a new pathway for photoassociation that can produce molecules in their absolute ground state of vibrational and rotational motion. We also report preliminary observations of collisions between these ground-state molecules and co-trapped atoms.

Polyclic aromatic hydrocarbons, also called Graphene Molecules (GMs), with chemical composition C132H36(COOH)2 were synthesized in-situ on the surface of transparent nanocrystaline indium tin oxide (nc-ITO) electrodes. Their electronic structure was studied electrochemically and spectro-electrochemically. Variations in the potential applied onto the nc-ITO/GM electrodes induce only small changes in the observed current but they produce dramatic changes in the absorption of the GMs, which are associated with their oxidation and reduction. Analysis of the absorption changes using modified Nernst equation is used to determine standard potentials associated with the individual charge transfer processes. For the GMs prepared here these were found to be E1,ox0 = 0.77± 0.01 V and E2,ox 0 = 1.24 ± 0.02 V vs. NHE for the first and second oxidation and E1,red0 = -1.50 ± 0.04 V for the first reduction. The charge transfer processes are found to be non-ideal. The non-ideality factors associated with the oxidation and reduction processes suggest presence of strong interactions between the GM redox centers. Under the conditions of potential cycling GMs show rapid (seconds) color change with high contrast and stability. An electrochromic application is demonstrated wherein the GMs are used as the optically active component.

Expression of receptor tyrosine-kinase (RTK) EGFR is low in normal prostate, but increases in prostate cancer. This receptor is significantly up-regulated as tumors progress into higher grade, androgen-insensitive and metastatic lesions. The up-regulated receptors could serve as targets for novel selective anti-cancer drugs, e.g. antibodies and tyrosine kinase inhibitors. Radionuclide imaging of RTK can facilitate patient stratification and monitoring of anti-RTK therapy of prostate cancer. The goal of the study was to evaluate binding and cellar processing of radiolabeled EGFR-targeting conjugates by prostate cancer cell lines. Receptor expression of EGFR was studied in three prostate cancer cell lines: DU145 (brain metastasis of PC, hormone insensitive), PC3 (bone metastasis of PC) and LNCaP (lymph node metastasis of PC, androgen and estrogen receptor positive). Uptake and internalization of anti-EGFR mAbs (cetuximab) and affibody molecule (Z2377) labeled with indium-111 was investigated. EGFR expression on prostate cancer cell lines was clearly demonstrated. Both labelled conjugates 111In-Z2377 and 111In-cetuximab bound to prostate cancer cells in the receptor mediated model. Expression levels were modest but correlate with degree of hormone independence. Internalization of Affibody molecules was relatively slow in all cell lines. Internalization of mAbs was more rapid. The level of EGFR expression in these cell lines is sufficient for in vivo molecular imaging. Slow internalization indicates possibility of the use of non-residualizing labels for affibody molecules. PMID:21253675

This project was developed to meet the ceramic technology requirements of the OTS`s automotive technology programs. Although progress has been made in developing reliable structural ceramics, further work is needed to reduce cost. The work described in this report is organized according to the following work breakdown structure project elements: Materials and processing (monolithics [Si nitride, carbide], ceramic composites, thermal and wear coatings, joining, cost effective ceramic machining), materials design methodology (contact interfaces, new concepts), data base and life prediction (structural qualification, time-dependent behavior, environmental effects, fracture mechanics, nondestructive evaluation development), and technology transfer.

The present invention discloses deoxyribonucleic acid enzymes--catalytic or enzymatic DNA molecules--capable of cleaving nucleic acid sequences or molecules, particularly RNA, in a site-specific manner, as well as compositions including same. Methods of making and using the disclosed enzymes and compositions are also disclosed.

Adhesion molecules are necessary for leukocyte trafficking and differentiation. They serve to initiate cell-cell interactions under conditions of shear, and they sustain the cell-cell and cell-matrix interactions needed for cellular locomotion. They also can serve directly as signaling molecules act...

This document reports on the work done by the Nuclear Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period October 1988--March 1989. These programs involve R&D in three areas: applied physical chemistry, separation science and technology, and nuclear waste management. The work in applied physical chemistry includes investigations into the processes that control the release and transport of fission products under accident-like conditions, the thermophysical properties of metal fuel and blanket materials of the Integral Fast Reactor, and the properties of selected materials in environments simulating those of fusion energy systems. In the area of separation science and technology, the bulk of the effort is concerned with developing and implementing processes for the removal and concentration of actinides from waste streams contaminated by transuranic elements. Another effort is concerned with examining the feasibility of substituting low-enriched for high-enriched uranium in the production of fission product {sup 99}Mo. In the area of waste management, investigations are underway on the performance of materials in projected nuclear repository conditions to provide input to the licensing of the nation`s high-level waste repositories. 127 refs., 76 figs., 103 tabs.

This document reports on the work done by the Nuclear Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period October 1989--March 1990. These programs involve R&D in three areas: applied physical chemistry, separation science and technology, and nuclear waste management. The work in applied physical chemistry includes investigations into the processes that control the release and transport of fission products under accident-like conditions, the thermophysical properties of metal fuel and blanket materials of the Integral Fast Reactor, and the properties of selected materials in environments simulating those of fusion energy systems. In the area of separation science and technology, the bulk of the effort is concerned with developing and implementing processes for the removal and concentration of actinides from waste streams contaminated by transuranic elements. Another effort is concerned water waste stream generated in production of 2,4,6-trinitrotoluene. In the area of waste management, investigations are underway on the performance of materials in projected nuclear repository conditions to provide input to the licensing of the nation`s high-level waste repositories.

This document reports on the work done by the Nuclear Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period April--September 1990. These programs involve R D in three areas: applied physical chemistry, separation science and technology, and nuclear waste management. The work in applied physical chemistry includes investigations into the processes that control the release and transport of fission products under accident-like conditions in a light water reactor, the thermophysical properties of the metal fuel in the Integral Fast Reactor, and the properties of selected materials in environments simulating those of fusion energy systems. In the area of separation science and technology, the bulk of the effort is concerned with developing and implementing processes for the removal and concentration of actinides from waste streams contaminated by transuranic elements. In the area of waste management, investigations are underway on the performance of materials in projected nuclear repository conditions to provide input to the licensing of the nation's high-level waste repositories.

This document reports on the work done by the Nuclear Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period April through September 1991. These programs involve R & D in three areas: applied physical chemistry, separation science and technology, and nuclear waste management. The work in applied physical chemistry includes investigations into the processes that control the release and transport of fission products under accident-like conditions in a light water reactor, the thermophysical properties of the metal fuel in the Integral Fast Reactor, and the properties of selected materials in environments simulating those of fusion energy systems. In the area of separation science and technology, the bulk of the effort is concerned with developing and implementing processes for the removal and concentration of actinides from waste streams contaminated by transuranic elements. In the area of waste management, investigations are underway on the performance of materials in projected nuclear repository conditions to provide input to the licensing of the nation`s high-level waste repositories.

This document reports on the work done by the Nuclear Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period October 1990--March 1991. These programs involve R&D in three areas: applied physical chemistry, separation science and technology, and nuclear waste management. The work in applied physical chemistry includes investigations into the processes that control the release and transpose of fission products under accident-like conditions in a light water reactor, the thermophysical properties of the metal fuel in the Integral Fast Reactor, and the properties of selected materials in environments simulating those of fusion energy systems. In the area of separation science and technology, the bulk of the effort is concerned with developing and implementing processes for the removal and concentration of actinides from waste streams contaminated by transuranic elements. In the area of waste management, investigations are underway on the performance of materials in projected nuclear repository conditions to provide input to the licensing of the nation`s high-level waste repositories.

This document reports on the work done by the Nuclear Technology Programs of the Chemical Technology Division, Argonne National Laboratory, in the period April--September 1990. These programs involve R&D in three areas: applied physical chemistry, separation science and technology, and nuclear waste management. The work in applied physical chemistry includes investigations into the processes that control the release and transport of fission products under accident-like conditions in a light water reactor, the thermophysical properties of the metal fuel in the Integral Fast Reactor, and the properties of selected materials in environments simulating those of fusion energy systems. In the area of separation science and technology, the bulk of the effort is concerned with developing and implementing processes for the removal and concentration of actinides from waste streams contaminated by transuranic elements. In the area of waste management, investigations are underway on the performance of materials in projected nuclear repository conditions to provide input to the licensing of the nation`s high-level waste repositories.

This Quality Assessment Program (QAP) is designed to test the quality of the environmental measurements being reported to the Department of Energy by its contractors. Since 1976, real or synthetic environmental samples that have been prepared and thoroughly analyzed at the Environmental Measurements Laboratory (EML) have been distributed at first quarterly and then semi-annually to these contractors. Their results, which are returned to EML within 90 days, are compiled with EML`s results and are reported back to the participating contractors 30 days later. A summary of the reported results is available to the participants 4 days after the reporting deadline via the Internet at www.eml.doe.gov. This report presents the results from the analysis of the 47th set of environmental quality assessment samples (QAP XLVII) that were received on or before December 1, 1997.

The Regulatory Agenda is a semiannual compilation of all rules on which the NRC has recently completed action, or has proposed action, or is considering action, and of all petitions for rulemaking that the NRC has received that are pending disposition. The agenda consists of two sections that have been updated through June 30, 1997. Section 1, ``Rules,`` includes (A) rules on which final action has been taken since December 31, 1996, the closing date of the last NRC Regulatory Agenda; (B) rules published previously as proposed rules on which the Commission has not taken final action; (C) rules published as advance notices of proposed rulemaking for which neither a proposed nor final rule has been issued; and (D) unpublished rules on which the NRC expects to take action. Section 2, ``Petitions for Rulemaking,`` includes (A) petitions denied or incorporated into final rules since December 31, 1996; (B) petitions incorporated into proposed rules; and (C) petitions pending staff review.

This Office of Inspector General (OIG) Semiannual Report to the Congress covers the period from October 1, 1997, through March 31, 1998. The report summarizes significant audit, inspection, and investigative accomplishments for the reporting period that facilitated Department of Energy (Department) efforts to improve management controls and ensure efficient and effective operation of its programs. This report highlights OIG accomplishments in support of its Strategic Plan. Narratives of the Office`s most significant reports are grouped by the strategic goals against which the OIG measures its performance. To put the OIG accomplishments for this reporting period in context, the following statistical information is provided: audit and inspection reports issued -- 47; recommendations that funds be put to better use -- $356,257,856; management commitment to taking corrective actions -- $289,106,445; criminal indictments/convictions -- 8; fines and recoveries -- $1,612,932; and investigative reports to management recommending positive change -- 21.

The objective of the semiannual progress report is to summarize the technical results obtained during the latest reporting period. The information presented herein will include evaluated test data, design evaluations, the results of analyses and the significance of results. The program objective is to demonstrate the technology readiness of a TFE suitable for use as the basic element in a thermionic reactor with electric power output in the 0.5 to 5.0 MW(e) range, and a full-power life of 7 years. The TFE Verification Program builds directly on the technology and data base developed in the 1960s and early 1970s in an AEC/NASA program, and in the SP-100 program conducted in 1983, 1984 and 1985. In the SP-100 program, the attractive features of thermionic power conversion technology were recognized, but concern was expressed over the lack of fast reactor irradiation data. 65 figs., 36 tabs.

This Office of Inspector General Semiannual Report to the Congress covers the period from April 1 through September 30, 1995. The report summarizes significant audit, inspection, and investigative accomplishments for the reporting period, a large portion of which facilitated Department of Energy management efforts to improve management controls and ensure efficient and effective operation of its programs. Narratives of the most significant reports are grouped by six primary performance measures which the Office of Inspector General uses to gauge its attainment of the outcomes established in the Office of Inspector General Strategic Plan. The common thread that ties the performance measures together is their emphasis on supporting Department efforts to produce high quality products at the lowest possible cost to the taxpayer. The six performance measures present outcomes of Office of Inspector General work in terms of improvements in Department programs and operations.

This Quality Assessment Program (QAP) is designed to test the quality of the environmental measurements being reported to the Department of Energy by its contractors. Since 1976, real or synthetic environmental samples that have been prepared and thoroughly analyzed at the Environmental Measurements Laboratory (EML) have been distributed at first quarterly and then semi-annually to these contractors. Their results, which are returned to EML within 90 days, are compiled with EML`s results and are reported back to the participating contractors 30 days later. This report presents the results from the analysis of the 48th set of environmental quality assessment samples (QAP XLVIII) that were received on or before June 1, 1998.

This is the fifteenth in a series of semiannual technical progress reports on fusion reactor materials. This report combines research and development activities which were previously reported separately in the following progress reports: Alloy Development for Irradiation Performance; Damage Analysis and Fundamental Studies; Special purpose Materials. These activities are concerned principally with the effects of the neutronic and chemical environment on the properties and performance of reactor materials; together they form one element of the overall materials programs being conducted in support of the Magnetic Fusion Energy Program of the U.S. Department of Energy. The Fusion Reactor Materials Program is a national effort involving several national laboratories, universities, and industries. The purpose of this series of reports is to provide a working technical record for the use of the program participants, and to provide a means of communicating the efforts of materials scientists to the rest of the fusion community, both nationally and worldwide.

Zonally averaged equatorial temperatures obtained aboard Nimbus 7 by the stratospheric and mesospheric sounder (SAMS) are compared to comparable data obtained from the limb IR monitor of the stratosphere. The SAMS data are shown to confirm the seasonal asymmetry in semiannual wind regimes previously noted in rocketsonde observations near the equator. Two explanations for the asymmetry are considered: (1) an improved Kelvin and gravity wave transmissivity in stronger equatorial easterlies (resulting from planetary Rossby wave momentum transport), implying stronger westerly mean flow acceleration in the first cycle than in the second; and (2) evidence of strong polar-tropical coupling in the northern winter indicating that mean meridional circulations are present on a global scale.

This is the Secretary of Energy`s ninth Semiannual Report to Congress to be submitted under the Inspector General Act of 1978, as amended. Pursuant to the Inspector General Act Amendments of 1988 (Public Law 100-504), agency heads are to report to Congress on the status of final action taken on audit report recommendations. This report complements a report prepared by the Department`s Office of Inspector General that provides information on audit reports issued during the period and on the status of management decisions made on Inspector General audit reports. During the period covered by this report, April 1 through September 30, 1993, the Department took final action on four contract and financial assistance audit reports. At the end of the period only three reports awaited final action. With regard to operational, financial, and preaward audits, final action was taken on 41 reports, resulting in 93 audit reports needing final action at the end of the period.

The objective of the semiannual progress report is to summarize the technical results obtained during the latest reporting period. The information presented herein will include evaluated test data, design evaluations, the results of analyses and the significance of results. The program objective is to demonstrate the technology readiness of a TFE suitable for use as the basic element in a thermionic reactor with electric power output in the 0.5 to 5.0 MW(e) range, and a full-power life of 7 years. The TFE Verification Program builds directly on the technology and data base developed in the 1960s and early 1970s in an AEC/NASA program, and in the SP-100 program conducted in 1983, 1984 and 1985. In the SP-100 program, the attractive features of thermionic power conversion technology were recognized, but concern was expressed over the lack of fast reactor irradiation data. The TFE Verification Program addresses this concern.

The objective of the Surface Gasification Materials Program is to conduct research and development on materials for application to the specific needs of coal gasification systems. One of the goals of the program is to evaluate innovative fabrication methods which have the potential to lower costs and improve reliability and safety for gasifier vessels and components. Another goal is to conduct engineering-scale development and application of materials for coal gasification systems to ensure that the materials of construction for pilot plants and future large-scale plants can be properly selected and specified. This semiannual progress report covers: (1) protective coatings and claddings - application/evaluation; (2) electroslag component casting; (3) materials development for solid oxide oxygen production unit; and (4) development of iron aluminides.

For a year of quiet solar-activity level, geomagnetic records from American hemisphere observatories located between about 0?? and 30?? north geomagnetic latitude were used to compare the annual and semiannual variations of the geomagnetic field associated with three separate contributions: (a) the quiet-day midnight level, MDT; (b) the solar-quiet daily variation, Sq; (c) the quiet-time lunar semidiurnal tidal variation, L(12). Four Fourier spectral constituents (24, 12, 8, 6 h periods) of Sq were individually treated. All three orthogonal elements (H, D and Z) were included in the study. The MDT changes show a dominant semiannual variation having a range of about 7 gammas in H and a dominant annual variation in Z having a range of over 8 gammas. These changes seem to be a seasonal response to the nightside distortions by magnetospheric currents. There is a slow decrease in MDT amplitudes with increasing latitude. The Sq changes follow the patterns expected from an equatorial ionospheric dynamo electrojet current system. The dominant seasonal variations occur in H having a range of over 21 gammas for the 24 h period and over 12 gammas for the 12 h period spectral components. The higher-order components are relatively smaller in size. The Sq(H) amplitudes decrease rapidly with increasing latitude. Magnetospheric contributions to the equatorial Sq must be less than a few per cent of the observed magnitude. The L(12) variation shows the ionospheric electrojet features by the dominance of H and the rapid decrease in amplitude with latitude away from the equator. However, the seasonal variation range of over 7 gammas has a maximum in early February and minimum in late June that is not presently explainable by the known ionospheric conductivity and tidal behavior. ?? 1981.

As part of the MHD Integrated Topping Cycle (ITC) project, TRW was given the responsibility to organize, charter and co-chair, with the Department of Energy (DOE), an MHD Technology Transfer, Integration and Review Committee (TTIRC). The Charter of the TTIRC, which was approved by the DOE in June 1988 and distributed to the committee members, is included as part of this Summary. As stated in the Charter, the purpose of this committee is to: (1) review all Proof-of-Concept (POC) projects and schedules in the national MHD program; to assess their compatibility with each other and the first commercial MHD retrofit plant; (2) establish and implement technology transfer formats for users of this technology; (3) identify interfaces, issues, and funding structures directly impacting the success of the commercial retrofit; (4) investigate and identify the manner in which, and by whom, the above should be resolved; and (5) investigate and assess other participation (foreign and domestic) in the US MHD Program. The DOE fiscal year 1989 MHD Program Plan Schedule is included at the end of this Summary. The MHD Technology Transfer, Integration and Review Committee`s activities to date have focused primarily on the ``technology transfer`` aspects of its charter. It has provided a forum for the dissemination of technical and programmatic information among workers in the field of MHD and to the potential end users, the utilities, by holding semi-annual meetings. The committee publishes this semi-annual report, which presents in Sections 2 through 11 capsule summaries of technical progress for all DOE Proof-of-Concept MHD contracts and major test facilities.

This project was developed to meet the ceramic technology requirements of the DOE Office of Transportation Systems` automotive technology programs. Significant progress in fabricating ceramic components for DOE, NASA, and DOE advanced heat engine programs show that operation of ceramic parts in high-temperature engines is feasible; however, addition research is needed in materials and processing, design, and data base and life prediction before industry will have a sufficient technology base for producing reliable cost-effective ceramic engine components commercially. A 5-yr project plan was developed, with focus on structural ceramics for advanced gas turbine and diesel engines, ceramic bearings and attachments, and ceramic coatings for thermal barrier and wear applications in these engines.

The Ceramic Technology Project was developed by the USDOE Office of Transportation Systems (OTS) in Conservation and Renewable Energy. This project, part of the OTS`s Materials Development Program, was developed to meet the ceramic technology requirements of the OTS`s automotive technology programs. Significant accomplishments in fabricating ceramic components for the USDOE and NASA advanced heat engine programs have provided evidence that the operation of ceramic parts in high-temperature engine environments is feasible. These programs have also demonstrated that additional research is needed in materials and processing development, design methodology, and data base and life prediction before industry will have a sufficient technology base from which to produce reliable cost-effective ceramic engine components commercially. A five-year project plan was developed with extensive input from private industry. In July 1990 the original plan was updated through the estimated completion of development in 1993. The objective is to develop the industrial technology base required for reliable ceramics for application in advanced automotive heat engines. The project approach includes determining the mechanisms controlling reliability, improving processes for fabricating existing ceramics, developing new materials with increased reliability, and testing these materials in simulated engine environments to confirm reliability. Although this is a generic materials project, the focus is on the structural ceramics for advanced gas turbine and diesel engines, ceramic bearings and attachments, and ceramic coatings for thermal barrier and wear applications in these engines. To facilitate the rapid transfer of this technology to US industry, the major portion of the work is being done in the ceramic industry, with technological support from government laboratories, other industrial laboratories, and universities.

Self-assembly is crucial for small molecular organic solar cells, which are extremely sensitive to the molecular structure. In this work, three subtle structural changed end-capped acceptors with increased electron withdrawing ability, named octyl 2-cyanoacetate (=CNCOOC8H17), 3-oxoundecanenitrile (=CNCOC8H17), and 2-(octylsulfonyl) acetonitrile (=CNSOOC8H17), were synthesized and introduced into a planar conjugated backbone using ethylhexyl-thiophene substituted benzodithiophene (TBDT) as a core and trithiophene as a π-bridge (labelled M1, M2 and M3, respectively). Their effects on absorption, thermal properties, and morphologies were studied and compared. In particular, the molecular packing of the three materials varied significantly, and the hole mobilities differed by orders of magnitude. As a result, the fill factors of devices varied from 52% to 72%. Combining the effects of electron-withdrawing capability and molecular packing, the power conversion efficiencies of the optimized devices increased from 3.0% for M3 to 6.4% for M1 and M2. The relationship between end-capped acceptors and photovoltaic properties would generate valuable insights into further producing more efficient solution-processable organic solar cells. PMID:25742902

It is well recognized that bacteria communicate via small diffusible molecules, a process termed quorum sensing. The best understood quorum sensing systems are those that use acylated homoserine lactones (AHLs) for communication. The prototype of those systems consists of a LuxI-like AHL synthase and a cognate LuxR receptor that detects the signal. However, many proteobacteria possess LuxR receptors, yet lack any LuxI-type synthase, and thus these receptors are referred to as LuxR orphans or solos. In addition to the well-known AHLs, little is known about the signaling molecules that are sensed by LuxR solos. Here, we describe a novel cell–cell communication system in the insect and human pathogen Photorhabdus asymbiotica. We identified the LuxR homolog PauR to sense dialkylresorcinols (DARs) and cyclohexanediones (CHDs) instead of AHLs as signals. The DarABC synthesis pathway produces the molecules, and the entire system emerged as important for virulence. Moreover, we have analyzed more than 90 different Photorhabdus strains by HPLC/MS and showed that these DARs and CHDs are specific to the human pathogen P. asymbiotica. On the basis of genomic evidence, 116 other bacterial species are putative DAR producers, among them many human pathogens. Therefore, we discuss the possibility of DARs as novel and widespread bacterial signaling molecules and show that bacterial cell–cell communication goes far beyond AHL signaling in nature. PMID:25550519

Secular, annual, and semiannual changes were obtained from the midnight values of field on specially determined days of quiet magnetospheric conditions. From a selection of North American observatories the latitude variation of these changes was evaluated from 20o to 65o. Results for the active and quiet sun years (1958 and 1965) were compared, and changes at Tucson were traced from 1958 through 1974. The year-to-year variance in the determination of a secular change seemed to be decreased by the present analysis method in comparison to a method which uses the annual mean of hourly values. The annual horizontal field variations were largely northward in early summer and southward in early winter, quiet year amplitudes of 2 to 3 gamma about doubled in the solar active year. The amplitudes of the semiannual field vectors were about one half that of the annual vectors; the directions were apparently inconsistent from year to year. -Authors

Anti-angiogenic therapy of solid tumors has until now failed to produce the long lasting clinical benefits desired, possibly due to the complexity of the neoangiogenic process. Indeed, a prominent role is played by "vasculogenic" or "vascular" mimicry (VM), a phenomenon in which aggressive cancer cells form an alternative microvascular circulation, independently of endothelial cell angiogenesis. In this study we observed, in melanoma patient cell lines having vasculogenic/stem-cell like phenotype and in melanoma tumors, the syndecan-1 co-expression with VM markers, such as CD144 and VEGFR-2. We show that melanoma cells lose their ability to form tubule-like structures in vitro after blocking syndecan-1 activity by the specific human recombinant antibody, OC-46F2. Moreover, in a human melanoma xenograft model, the combined therapy using OC-46F2 and L19-IL2, an immunocytokine specific for the tumor angiogenic-associated B-fibronectin isoform(B-FN), led to a complete inhibition of tumor growth until day 90 from tumor implantation in 71% of treated mice, with statistically significant differences compared to groups treated with OC-46F2 or L19-IL2 as monotherapy. Furthermore, in the tumors recovered from mice treated with OC-46F2 either as monotherapy or in combination with L19-IL2, we observed a dramatic decrease of vascular density and loss of VM structures. These findings indicate for the first time a role of syndecan-1 in melanoma VM and that targeting syndecan-1, together with B-FN, could be promising in improving the treatment of metastatic melanoma. PMID:26460958

Anti-angiogenic therapy of solid tumors has until now failed to produce the long lasting clinical benefits desired, possibly due to the complexity of the neoangiogenic process. Indeed, a prominent role is played by “vasculogenic” or “vascular” mimicry (VM), a phenomenon in which aggressive cancer cells form an alternative microvascular circulation, independently of endothelial cell angiogenesis. In this study we observed, in melanoma patient cell lines having vasculogenic/stem-cell like phenotype and in melanoma tumors, the syndecan-1 co-expression with VM markers, such as CD144 and VEGFR-2. We show that melanoma cells lose their ability to form tubule-like structures in vitro after blocking syndecan-1 activity by the specific human recombinant antibody, OC-46F2. Moreover, in a human melanoma xenograft model, the combined therapy using OC-46F2 and L19-IL2, an immunocytokine specific for the tumor angiogenic-associated B-fibronectin isoform(B-FN), led to a complete inhibition of tumor growth until day 90 from tumor implantation in 71% of treated mice, with statistically significant differences compared to groups treated with OC-46F2 or L19-IL2 as monotherapy. Furthermore, in the tumors recovered from mice treated with OC-46F2 either as monotherapy or in combination with L19-IL2, we observed a dramatic decrease of vascular density and loss of VM structures. These findings indicate for the first time a role of syndecan-1 in melanoma VM and that targeting syndecan-1, together with B-FN, could be promising in improving the treatment of metastatic melanoma. PMID:26460958

This fifth semi-annual status report of the MHD Technology Transfer, Integration, and Review Committee (TTIRC) summarizes activities of the TTIRC during the period April 1990 through September 1990. It includes summaries and minutes of committee meetings, progress summaries of ongoing Proof-of-Concept (POC) contracts, discussions pertaining to technical integration issues in the POC program, and planned activities for the next six months.

Ultracold polar molecules in the quantum degenerate regime open the possibility of realizing quantum gases with long-range, and spatially anisotropic, interparticle interactions. Currently, we can create a gas of ultracold fermionic ground-state KRb molecules in with a peak density of 1012 cm-3 and a temperature just 1.4 times the Fermi temperature. We will report on efforts to further cool this gas of molecules. One possibility is to evaporatively cool a spin-polarized molecular Fermi gas confined in quasi-2D, where we would rely on dipole-dipole interactions for rethermalization. We acknowledge funding from NIST, NSF, and AFOSR-MURI.

In the Poisson-spot experiment, waves emanating from a source are blocked by a circular obstacle. Due to their positive on-axis interference an image of the source (the Poisson spot) is observed within the geometrical shadow of the obstacle. In this paper we report the observation of Poisson's spot using a beam of neutral deuterium molecules. The wavelength independence and the weak constraints on angular alignment and position of the circular obstacle make Poisson's spot a promising candidate for applications ranging from the study of large molecule diffraction to patterning with molecules.

In the Poisson-spot experiment, waves emanating from a source are blocked by a circular obstacle. Due to their positive on-axis interference an image of the source (the Poisson spot) is observed within the geometrical shadow of the obstacle. In this paper we report the observation of Poisson’s spot using a beam of neutral deuterium molecules. The wavelength independence and the weak constraints on angular alignment and position of the circular obstacle make Poisson’s spot a promising candidate for applications ranging from the study of large molecule diffraction to patterning with molecules.

Utilizing single-photon photoassociation, we have achieved ultracold rubidium molecules with a high number density that provides a new efficient approach toward molecular quantum degeneracy. A new detection mechanism for ultracold molecules utilizing inelastic atom-molecule collision is demonstrated. The resonant coupling effect on the formation of the X1Σ+g ground state 85Rb2 allows for a sufficient number of more deeply bound ultracold molecules, which induced an additional trap loss and heating of the co-existing atoms owing to the inelastic atom-molecule collision. Therefore, after the photoassociation process, the ultracold molecules can be investigated using the absorption image of the ultracold rubidium atoms mixed with the molecules in a crossed optical dipole trap. The existence of the ultracold molecules was then verified, and the amount of accumulated molecules was measured. This method detects the final produced ultracold molecules, and hence is distinct from the conventional trap loss experiment, which is used to study the association resonance. It is composed of measurements of the time evolution of an atomic cloud and a decay model, by which the number density of the ultracold 85Rb2 molecules in the optical trap was estimated to be >5.2 × 1011 cm-3.

Viewing a movie of an enzyme molecule made from molecular dynamics (MD) simulation, we see incredible details of molecular motions, be it a change of the conformation or the action of a chemical reaction.

Polyatomic molecule vibrations are analyzed as harmonic vibrations along normal coordinates. The energy eigenvalues are found for linear and nonlinear symmetric triatomic molecules for valence bond models of the potential function with arbitrary coupling coefficients; such models can usually be fitted to observed energy levels with reasonably good accuracy. Approximate normal coordinates for the H2O molecule are discussed. Degenerate vibrational modes such as occur in CO2 are analyzed and expressions for Fermi resonance between close-lying states of the same symmetry are developed. The bending modes of linear triatomic molecules are expressed in terms of Laguerre polynomials in cylindrical coordinates as well as in terms of Hermite polynomials in Cartesian coordinates. The effects of large-amplitude bending such as occur in the C3 molecule are analyzed, along with anharmonic effects, which split the usually degenerate bending mode energy levels. Finally, the vibrational frequencies, degeneracies, and symmetry properties of XY3, X2Y2, and XY4 type molecules are discussed.

Fall 2001: (September 29-30, 2001; Irvine, CA) This meeting focused on presentations and plans for two ad hoc projects sponsored by the committee?the burning plasma study and the partially ionized plasma proposals. Ongoing discussions with CHEDPP chair Ron Davidson were also included. Significant attention was given to FESAC and the Fusion Energy Snowmass meeting planned for Summer 2002. These discussions lead to continued development of the proposal for the burning plasma project. A science talk on plasma processing of materials from an industry perspective provided a backdrop for discussion of the partially ionized plasmas project. Spring 2002: (April 5-6, 2003; Washington, DC) This meeting included updates from the funding agencies (DOE, NSF, ONR, and NASA) and a discussion panel amongst them, a review of the burning plasma study proposal, and a discussion of the HED study?s progress. Future work items such as the plasma physics volume of the decadal physics survey and potential studies on computer modeling and simulation were also discussed. Fall 2002: (September 28-29, 2002; Irvine, CA) This meeting discussed the status of the then-recently started burning plasma study, heard the findings and recommendations of the HED study, and discussed the prospects for fusion in light of the Snowmass summer study and the FESAC sub-panel on burning plasma program options. A science talk addressed the role of plasmas in astrophysics and brought attention to the need for greater rapport between plasma physicists and NASA?s space sciences programs. The Plasma 2010 project was discussed in detail and a draft proposal was reviewed. Spring 2003: (April 4-5, 200; Washington, DC) This meeting centered on the activies of BPAC and discussion of the proposed Plasma 2010 project. Agency representatives discussed their program plans; they also commented on the possibilities of an ITER-future and discussed the status of the joint DOE/NSF funding program in basic plasma science. A

Superresolution imaging is a rapidly emerging new field of microscopy that dramatically improves the spatial resolution of light microscopy by over an order of magnitude (∼10–20-nm resolution), allowing biological processes to be described at the molecular scale. Here, we discuss a form of superresolution microscopy based on the controlled activation and sampling of sparse subsets of photoconvertible fluorescent molecules. In this single-molecule based imaging approach, a wide variety of probes have proved valuable, ranging from genetically encodable photoactivatable fluorescent proteins to photoswitchable cyanine dyes. These have been used in diverse applications of superresolution imaging: from three-dimensional, multicolor molecule localization to tracking of nanometric structures and molecules in living cells. Single-molecule-based superresolution imaging thus offers exciting possibilities for obtaining molecular-scale information on biological events occurring at variable timescales. PMID:20055680

The Environmental Restoration/Waste Management-Applied Technology (ER/WM-AT) Program is developing restoration and waste treatment technologies needed for the ongoing environmental cleanup of the Department of Energy (DOE) complex and treatment technologies for wastes generated in the nuclear weapons production complex. These technologies can find application to similar problems nationally and even worldwide. They can be demonstrated at the Livermore site, which mirrors (on a small scale) many of the environmental and waste management problems of the rest of the DOE complex. Their commercialization should speed cleanup, and the scope of the task should make it attractive to US industry. The articles in this semi-annual report cover the following areas: ceramic final forms for residues of mixed waste treatment; treatment of wastes containing sodium nitrate; actinide volatility in thermal oxidation processes; in situ microbial filters for remediating contaminated soils; collaboration with scientists in the former Soviet Union on new ER/WM technologies; and fiber-optic sensors for chlorinated organic solvents.

Three classes of molecular electronic transition lasers produced by hybrid pumping of high pressure rate gas mixtures are discussed. These are (1) rare gas dimer lasers (such as excited Ar2, Kr2, and Xe2) lasing in the VUV, (2) rare gas halide lasers or excimer lasers (such as KrF, ArF, and XeCl excimers) lasing in the UV, and (3) the charge transfer molecular ion laser (such as N2/+/) lasing in the visible range. Laser excitation methods and kinetic sequences are examined for these lasers.